benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate

C19H29N3O2 — CID 67214786

IUPACbenzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate
SMILESNC1CCCCC1NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c20-17-8-4-5-9-18(17)21-16-10-12-22(13-11-16)19(23)24-14-15-6-2-1-3-7-15/h1-3,6-7,16-18,21H,4-5,8-14,20H2
InChIKeyMDXNUWZEYTUBCP-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.65
Rot. Bonds4

About benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate

benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate (PubChem CID 67214786) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate
PubChem CID67214786
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Namebenzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate
SMILESNC1CCCCC1NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c20-17-8-4-5-9-18(17)21-16-10-12-22(13-11-16)19(23)24-14-15-6-2-1-3-7-15/h1-3,6-7,16-18,21H,4-5,8-14,20H2
InChIKeyMDXNUWZEYTUBCP-UHFFFAOYSA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]piperidine-1-carboxylate
CID 146034151
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
benzyl piperidine-1-carboxylate
CID 158057698

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate (CID 67214786) is benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate is NC1CCCCC1NC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate?
The InChIKey is MDXNUWZEYTUBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-17-8-4-5-9-18(17)21-16-10-12-22(13-11-16)19(23)24-14-15-6-2-1-3-7-15/h1-3,6-7,16-18,21H,4-5,8-14,20H2.
What are the key properties of benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate?
benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 67214786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).