1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol

C17H28N2O — CID 126825509

IUPAC1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol
SMILESCC(C)(C)CNCc1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)13-18-12-14-4-6-15(7-5-14)19-10-8-16(20)9-11-19/h4-7,16,18,20H,8-13H2,1-3H3
InChIKeyDHEZSVXSMOBRNV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds4

About 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol

1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 126825509) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol
PubChem CID126825509
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol
SMILESCC(C)(C)CNCc1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)13-18-12-14-4-6-15(7-5-14)19-10-8-16(20)9-11-19/h4-7,16,18,20H,8-13H2,1-3H3
InChIKeyDHEZSVXSMOBRNV-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
4-[[4-(azepan-1-yl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 111470651
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
CID 103708001
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
1-[4-(ethylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670405
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836685
1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-ol
CID 70845344
1-[4-(2-aminoethyl)phenyl]piperidin-4-ol
CID 83822441
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol (CID 126825509) is 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol is CC(C)(C)CNCc1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is DHEZSVXSMOBRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)13-18-12-14-4-6-15(7-5-14)19-10-8-16(20)9-11-19/h4-7,16,18,20H,8-13H2,1-3H3.
What are the key properties of 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol?
1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 276.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 126825509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).