tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate

C16H30N2O3 — CID 168999917

IUPACtert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-10-6-16(20,7-11-18)12-13-4-8-17-9-5-13/h13,17,20H,4-12H2,1-3H3
InChIKeyALXHFMYGFQSVMQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate (PubChem CID 168999917) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
PubChem CID168999917
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-10-6-16(20,7-11-18)12-13-4-8-17-9-5-13/h13,17,20H,4-12H2,1-3H3
InChIKeyALXHFMYGFQSVMQ-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-hydroxy-4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 171485202
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
4-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 21061045
tert-butyl 4-(cyclopropylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 177053161
tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate
CID 86276705
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
CID 161037215
tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 57425738
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate (CID 168999917) is tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CC2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate?
The InChIKey is ALXHFMYGFQSVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-10-6-16(20,7-11-18)12-13-4-8-17-9-5-13/h13,17,20H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 168999917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).