3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol

C17H28N2O — CID 79254755

IUPAC3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
SMILESCC(C)C(CO)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)17(13-20)18-12-15-6-8-16(9-7-15)19-10-4-3-5-11-19/h6-9,14,17-18,20H,3-5,10-13H2,1-2H3
InChIKeyFEWHOYZGCQHXAK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds6

About 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol

3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol (PubChem CID 79254755) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
PubChem CID79254755
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
SMILESCC(C)C(CO)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)17(13-20)18-12-15-6-8-16(9-7-15)19-10-4-3-5-11-19/h6-9,14,17-18,20H,3-5,10-13H2,1-2H3
InChIKeyFEWHOYZGCQHXAK-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
methyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanoate
CID 60781924
3-methyl-1-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 115630567
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43778128
2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 81392851
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
4-methylsulfinyl-N-[(4-piperidin-1-ylphenyl)methyl]butan-2-amine
CID 115688240

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol (CID 79254755) is 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol is CC(C)C(CO)NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol?
The InChIKey is FEWHOYZGCQHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)17(13-20)18-12-15-6-8-16(9-7-15)19-10-4-3-5-11-19/h6-9,14,17-18,20H,3-5,10-13H2,1-2H3.
What are the key properties of 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol?
3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 79254755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).