1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone

C18H26N2O2 — CID 111110346

IUPAC1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2(O)CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O2/c1-14(21)20-11-8-16(9-12-20)19-13-18(22)10-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,16,19,22H,4,6,8-13H2,1H3
InChIKeyRCCSOWKGRRMBGH-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.81
Rot. Bonds3

About 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone

1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 111110346) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID111110346
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2(O)CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O2/c1-14(21)20-11-8-16(9-12-20)19-13-18(22)10-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,16,19,22H,4,6,8-13H2,1H3
InChIKeyRCCSOWKGRRMBGH-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
(1R)-1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 99703085
1-[[(1-pyridin-2-ylpiperidin-4-yl)amino]methyl]-2,3-dihydroinden-1-ol
CID 84595397
(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
CID 124886104
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-propylpyrrolidine-2-carboxamide
CID 111485949
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
4-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 122032364
(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95177177
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
CID 111540494
2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
CID 86972570

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone (CID 111110346) is 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC2(O)CCCc3ccccc32)CC1.
What is the InChIKey of 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is RCCSOWKGRRMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(21)20-11-8-16(9-12-20)19-13-18(22)10-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,16,19,22H,4,6,8-13H2,1H3.
What are the key properties of 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 111110346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).