benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate

C21H26N2O2 — CID 165413642

IUPACbenzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(C2CCNCC2)cc1)OCc1ccccc1
InChIInChI=1S/C21H26N2O2/c24-21(25-16-18-4-2-1-3-5-18)23-15-10-17-6-8-19(9-7-17)20-11-13-22-14-12-20/h1-9,20,22H,10-16H2,(H,23,24)
InChIKeyVMDDSTQVQFLATD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.62
Rot. Bonds6

About benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate

benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate (PubChem CID 165413642) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate
PubChem CID165413642
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namebenzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(C2CCNCC2)cc1)OCc1ccccc1
InChIInChI=1S/C21H26N2O2/c24-21(25-16-18-4-2-1-3-5-18)23-15-10-17-6-8-19(9-7-17)20-11-13-22-14-12-20/h1-9,20,22H,10-16H2,(H,23,24)
InChIKeyVMDDSTQVQFLATD-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14103856
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benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
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benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
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(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
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benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
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CID 146452432
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
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benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
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(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
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benzyl N-[4-[4-[4-[3-(2-aminoethylamino)-3-oxopropyl]cyclohexyl]phenyl]butyl]carbamate
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CID 63877044

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate (CID 165413642) is benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate is O=C(NCCc1ccc(C2CCNCC2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate?
The InChIKey is VMDDSTQVQFLATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(25-16-18-4-2-1-3-5-18)23-15-10-17-6-8-19(9-7-17)20-11-13-22-14-12-20/h1-9,20,22H,10-16H2,(H,23,24).
What are the key properties of benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate?
benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 165413642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).