[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone

C23H24N2O2 — CID 23587338

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cc4ccccc4cc3O)CC2)c1
InChIInChI=1S/C23H24N2O2/c24-15-16-4-3-7-18(12-16)17-8-10-25(11-9-17)23(27)21-13-19-5-1-2-6-20(19)14-22(21)26/h1-7,12-14,17,26H,8-11,15,24H2
InChIKeyQGVXQFGPSALBEA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.02
Rot. Bonds3

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone (PubChem CID 23587338) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
PubChem CID23587338
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cc4ccccc4cc3O)CC2)c1
InChIInChI=1S/C23H24N2O2/c24-15-16-4-3-7-18(12-16)17-8-10-25(11-9-17)23(27)21-13-19-5-1-2-6-20(19)14-22(21)26/h1-7,12-14,17,26H,8-11,15,24H2
InChIKeyQGVXQFGPSALBEA-UHFFFAOYSA-N
XLogP4.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone (CID 23587338) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone is NCc1cccc(C2CCN(C(=O)c3cc4ccccc4cc3O)CC2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The InChIKey is QGVXQFGPSALBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c24-15-16-4-3-7-18(12-16)17-8-10-25(11-9-17)23(27)21-13-19-5-1-2-6-20(19)14-22(21)26/h1-7,12-14,17,26H,8-11,15,24H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 23587338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).