2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid

C19H24N2O2 — CID 68849796

IUPAC2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c22-19(23)20-10-7-15-8-11-21(12-9-15)14-16-5-6-17-3-1-2-4-18(17)13-16/h1-6,13,15,20H,7-12,14H2,(H,22,23)
InChIKeyLXPZIOSZEKUWNH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.71
Rot. Bonds5

About 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid

2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 68849796) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
PubChem CID68849796
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c22-19(23)20-10-7-15-8-11-21(12-9-15)14-16-5-6-17-3-1-2-4-18(17)13-16/h1-6,13,15,20H,7-12,14H2,(H,22,23)
InChIKeyLXPZIOSZEKUWNH-UHFFFAOYSA-N
XLogP3.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 68847048
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
2-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 68846400
N-methyl-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-N-phenylacetamide
CID 10067903
2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide
CID 166370315
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid
CID 68849802
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508

Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid (CID 68849796) is 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid is O=C(O)NCCC1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is LXPZIOSZEKUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-19(23)20-10-7-15-8-11-21(12-9-15)14-16-5-6-17-3-1-2-4-18(17)13-16/h1-6,13,15,20H,7-12,14H2,(H,22,23).
What are the key properties of 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 312.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 68849796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).