tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine

C23H46N4O2 — CID 143856919

IUPACtert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine
SMILESCC(C)(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1.CN
InChIInChI=1S/C22H41N3O2.CH5N/c1-21(2,3)27-20(26)24-16-12-22(4,13-17-24)25-14-10-19(11-15-25)23-18-8-6-5-7-9-18;1-2/h18-19,23H,5-17H2,1-4H3;2H2,1H3
InChIKeySSRQDPGDMOOVBP-UHFFFAOYSA-N
MW410.65 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine

tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine (PubChem CID 143856919) has the molecular formula C23H46N4O2 and a molecular weight of 410.65 g/mol. Its IUPAC name is tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine.

Molecular Properties

Compound Nametert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine
PubChem CID143856919
Molecular FormulaC23H46N4O2
Molecular Weight410.65 g/mol
Exact Mass410.36
IUPAC Nametert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine
SMILESCC(C)(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1.CN
InChIInChI=1S/C22H41N3O2.CH5N/c1-21(2,3)27-20(26)24-16-12-22(4,13-17-24)25-14-10-19(11-15-25)23-18-8-6-5-7-9-18;1-2/h18-19,23H,5-17H2,1-4H3;2H2,1H3
InChIKeySSRQDPGDMOOVBP-UHFFFAOYSA-N
XLogP3.74
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate hydrochloride
CID 25212672
tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 25216345
Tert-butyl 4-[methyl(piperidin-4-yl)amino]piperidine-1-carboxylate
CID 156292820
Tert-butyl 4-methyl-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 82379324
Tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 25212673
tert-butyl 4-fluoro-4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 165136898
tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate
CID 170952309
Tert-butyl 4-[2-[[4-(trifluoromethyl)piperidin-4-yl]amino]ethyl]piperidine-1-carboxylate
CID 177321199
Ditert-butyl 2-methyl-1,4,9-triazaspiro[5.5]undecane-4,9-dicarboxylate
CID 134851747
Tert-butyl 3-fluoro-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 91828173
tert-butyl (3S)-3-fluoro-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97891156
tert-butyl (3R)-3-fluoro-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97891157

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine?
The IUPAC name of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine (CID 143856919) is tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine.
What is the SMILES notation for tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine?
The canonical SMILES for tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine is CC(C)(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1.CN.
What is the InChIKey of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine?
The InChIKey is SSRQDPGDMOOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2.CH5N/c1-21(2,3)27-20(26)24-16-12-22(4,13-17-24)25-14-10-19(11-15-25)23-18-8-6-5-7-9-18;1-2/h18-19,23H,5-17H2,1-4H3;2H2,1H3.
What are the key properties of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine?
tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine has a molecular weight of 410.65 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate;methanamine is sourced from PubChem (CID 143856919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).