tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine

C42H86N6O7 — CID 157253301

IUPACtert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine
SMILESCCN(CC)CC1(O)CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)CC1(OC)CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)CC1(OC)CCNCC1
InChIInChI=1S/C16H32N2O3.C15H30N2O3.C11H24N2O/c1-7-17(8-2)13-16(20-6)9-11-18(12-10-16)14(19)21-15(3,4)5;1-6-16(7-2)12-15(19)8-10-17(11-9-15)13(18)20-14(3,4)5;1-4-13(5-2)10-11(14-3)6-8-12-9-7-11/h7-13H2,1-6H3;19H,6-12H2,1-5H3;12H,4-10H2,1-3H3
InChIKeyAWOWQHIMXALHFV-UHFFFAOYSA-N
MW787.18 g/mol
LogP5.93
Rot. Bonds14

About tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine

tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine (PubChem CID 157253301) has the molecular formula C42H86N6O7 and a molecular weight of 787.18 g/mol. Its IUPAC name is tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Nametert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine
PubChem CID157253301
Molecular FormulaC42H86N6O7
Molecular Weight787.18 g/mol
Exact Mass786.66
IUPAC Nametert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine
SMILESCCN(CC)CC1(O)CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)CC1(OC)CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)CC1(OC)CCNCC1
InChIInChI=1S/C16H32N2O3.C15H30N2O3.C11H24N2O/c1-7-17(8-2)13-16(20-6)9-11-18(12-10-16)14(19)21-15(3,4)5;1-6-16(7-2)12-15(19)8-10-17(11-9-15)13(18)20-14(3,4)5;1-4-13(5-2)10-11(14-3)6-8-12-9-7-11/h7-13H2,1-6H3;19H,6-12H2,1-5H3;12H,4-10H2,1-3H3
InChIKeyAWOWQHIMXALHFV-UHFFFAOYSA-N
XLogP5.93
TPSA119.52 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500787.18
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine with MolForge

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Related Compounds

Tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;4-methylpiperidin-4-ol;hydrochloride
CID 68849642
Methyl 4-[[4-(aminomethyl)piperidin-1-yl]methyl]piperidine-1-carboxylate;4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylic acid
CID 157103774
Tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine
CID 159076788
Tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methoxypiperidine-1-carboxylate;4-methoxypiperidine
CID 159161932
Tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate;4-(diethylaminomethyl)piperidin-4-ol
CID 159506455
CID 160689451
CID 160689451
Tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;methanol;4-methylpiperidin-4-ol;hydrochloride
CID 161846302
Tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 163935120
Tert-butyl 4-(2-ethyl-2-hydroxybutyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 174209758
Tert-butyl 4-(2-ethyl-2-hydroxybutyl)piperazine-1-carboxylate;3-(piperazin-1-ylmethyl)pentan-3-ol
CID 174211837
Tert-butyl 4-hydroxy-4-({[2-(morpholin-4-yl)ethyl]amino}methyl)piperidine-1-carboxylate
CID 126847223

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine?
The IUPAC name of tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine (CID 157253301) is tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine is CCN(CC)CC1(O)CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)CC1(OC)CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)CC1(OC)CCNCC1.
What is the InChIKey of tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine?
The InChIKey is AWOWQHIMXALHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.C15H30N2O3.C11H24N2O/c1-7-17(8-2)13-16(20-6)9-11-18(12-10-16)14(19)21-15(3,4)5;1-6-16(7-2)12-15(19)8-10-17(11-9-15)13(18)20-14(3,4)5;1-4-13(5-2)10-11(14-3)6-8-12-9-7-11/h7-13H2,1-6H3;19H,6-12H2,1-5H3;12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine?
tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine has a molecular weight of 787.18 g/mol, XLogP of 5.93, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(diethylaminomethyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(diethylaminomethyl)-4-methoxypiperidine-1-carboxylate;N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 157253301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).