benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate

C20H30N2O2 — CID 170459943

IUPACbenzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNC2CCCCC2)CC1
InChIInChI=1S/C20H30N2O2/c23-20(24-16-18-7-3-1-4-8-18)22-13-11-17(12-14-22)15-21-19-9-5-2-6-10-19/h1,3-4,7-8,17,19,21H,2,5-6,9-16H2
InChIKeyOARBWWOBIITCKX-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.96
Rot. Bonds5

About benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate

benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate (PubChem CID 170459943) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
PubChem CID170459943
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namebenzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNC2CCCCC2)CC1
InChIInChI=1S/C20H30N2O2/c23-20(24-16-18-7-3-1-4-8-18)22-13-11-17(12-14-22)15-21-19-9-5-2-6-10-19/h1,3-4,7-8,17,19,21H,2,5-6,9-16H2
InChIKeyOARBWWOBIITCKX-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
tert-butyl (3R)-3-[(1-phenylmethoxycarbonylpiperidin-4-yl)methylamino]piperidine-1-carboxylate
CID 170459926
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-[(cyclohexylmethyldisulfanyl)methyl]piperidine-1-carboxylate
CID 167619459
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 4-[2-(2-cyclohexylethyldisulfanyl)ethyl]piperidine-1-carboxylate
CID 167631664
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate (CID 170459943) is benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CNC2CCCCC2)CC1.
What is the InChIKey of benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate?
The InChIKey is OARBWWOBIITCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-20(24-16-18-7-3-1-4-8-18)22-13-11-17(12-14-22)15-21-19-9-5-2-6-10-19/h1,3-4,7-8,17,19,21H,2,5-6,9-16H2.
What are the key properties of benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate?
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 170459943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).