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

C23H23NO — CID 19771944

IUPAC[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H23NO/c25-23(20-7-2-1-3-8-20)21-12-14-24(15-13-21)17-18-10-11-19-6-4-5-9-22(19)16-18/h1-11,16,21H,12-15,17H2
InChIKeyCBPOCCKFJYURMV-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.93
Rot. Bonds4

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

[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone (PubChem CID 19771944) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
PubChem CID19771944
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H23NO/c25-23(20-7-2-1-3-8-20)21-12-14-24(15-13-21)17-18-10-11-19-6-4-5-9-22(19)16-18/h1-11,16,21H,12-15,17H2
InChIKeyCBPOCCKFJYURMV-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
CID 134116002
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 165434097
2-(bromomethyl)naphthalene;N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]benzamide
CID 159218719
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
N-methyl-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-N-phenylacetamide
CID 10067903
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone (CID 19771944) is [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is CBPOCCKFJYURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c25-23(20-7-2-1-3-8-20)21-12-14-24(15-13-21)17-18-10-11-19-6-4-5-9-22(19)16-18/h1-11,16,21H,12-15,17H2.
What are the key properties of [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone?
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 329.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 19771944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).