benzyl 4-(benzylamino)piperidine-1-carboxylate

C20H24N2O2 — CID 44828828

IUPACbenzyl 4-(benzylamino)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(24-16-18-9-5-2-6-10-18)22-13-11-19(12-14-22)21-15-17-7-3-1-4-8-17/h1-10,19,21H,11-16H2
InChIKeyWLWMPHXMKPXNSW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds5

About benzyl 4-(benzylamino)piperidine-1-carboxylate

benzyl 4-(benzylamino)piperidine-1-carboxylate (PubChem CID 44828828) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is benzyl 4-(benzylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(benzylamino)piperidine-1-carboxylate
PubChem CID44828828
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namebenzyl 4-(benzylamino)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(24-16-18-9-5-2-6-10-18)22-13-11-19(12-14-22)21-15-17-7-3-1-4-8-17/h1-10,19,21H,11-16H2
InChIKeyWLWMPHXMKPXNSW-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66564221
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
benzyl aziridine-1-carboxylate;silane
CID 158496499

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(benzylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(benzylamino)piperidine-1-carboxylate (CID 44828828) is benzyl 4-(benzylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(benzylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(benzylamino)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(NCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(benzylamino)piperidine-1-carboxylate?
The InChIKey is WLWMPHXMKPXNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(24-16-18-9-5-2-6-10-18)22-13-11-19(12-14-22)21-15-17-7-3-1-4-8-17/h1-10,19,21H,11-16H2.
What are the key properties of benzyl 4-(benzylamino)piperidine-1-carboxylate?
benzyl 4-(benzylamino)piperidine-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(benzylamino)piperidine-1-carboxylate is sourced from PubChem (CID 44828828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).