1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol

C17H28N2O — CID 106836661

IUPAC1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
SMILESCCCNCc1ccccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C17H28N2O/c1-3-10-18-13-16-6-4-5-7-17(16)19-11-8-15(9-12-19)14(2)20/h4-7,14-15,18,20H,3,8-13H2,1-2H3
InChIKeyDSHHCORBNWVVNB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds6

About 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol

1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 106836661) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
PubChem CID106836661
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
SMILESCCCNCc1ccccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C17H28N2O/c1-3-10-18-13-16-6-4-5-7-17(16)19-11-8-15(9-12-19)14(2)20/h4-7,14-15,18,20H,3,8-13H2,1-2H3
InChIKeyDSHHCORBNWVVNB-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
1-[1-[2-chloro-4-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836689
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
CID 103356921
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
1-cyclopropyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethanol
CID 63294792

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol (CID 106836661) is 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol is CCCNCc1ccccc1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol?
The InChIKey is DSHHCORBNWVVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18-13-16-6-4-5-7-17(16)19-11-8-15(9-12-19)14(2)20/h4-7,14-15,18,20H,3,8-13H2,1-2H3.
What are the key properties of 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol?
1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol 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 1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).