benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate

C19H30N2O2 — CID 67310517

IUPACbenzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
SMILESCC(C)(CCCN1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-19(2,12-9-15-21-13-7-4-8-14-21)20-18(22)23-16-17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3,(H,20,22)
InChIKeyCYYZBTGWBHTTNV-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.96
Rot. Bonds7

About benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate

benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate (PubChem CID 67310517) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
PubChem CID67310517
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Namebenzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
SMILESCC(C)(CCCN1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-19(2,12-9-15-21-13-7-4-8-14-21)20-18(22)23-16-17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3,(H,20,22)
InChIKeyCYYZBTGWBHTTNV-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
CID 126639455
benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate
CID 70111942
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
CID 57386791
benzyl N-[3-(azacyclotridec-1-yl)propyl]-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 11103740
S-[3-methyl-3-(phenylmethoxycarbonylamino)butyl] ethanethioate
CID 86665510
benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate
CID 67507979
benzyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propyl]carbamate
CID 146599653
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
CID 11151722
benzyl (2S)-2-(dibenzylamino)-6-piperidin-1-ylhexanoate
CID 24754448

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate?
The IUPAC name of benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate (CID 67310517) is benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate is CC(C)(CCCN1CCCCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate?
The InChIKey is CYYZBTGWBHTTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,12-9-15-21-13-7-4-8-14-21)20-18(22)23-16-17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3,(H,20,22).
What are the key properties of benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate?
benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate is sourced from PubChem (CID 67310517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).