4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol

C17H28N2O — CID 103779736

IUPAC4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)12-17(20)13-18-15-8-10-19(11-9-15)16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3
InChIKeyBQTKCFDTFIEVRY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.65
Rot. Bonds6

About 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol

4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol (PubChem CID 103779736) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol
PubChem CID103779736
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)12-17(20)13-18-15-8-10-19(11-9-15)16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3
InChIKeyBQTKCFDTFIEVRY-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806
3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
CID 91038592
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
(E)-3-[4-[4-(2-hydroxybutylamino)piperidin-1-yl]phenyl]prop-2-enoic acid
CID 21021946
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
5-[[4-[4-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]piperidin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86584553
2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
CID 65034705

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol (CID 103779736) is 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol is CC(C)CC(O)CNC1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol?
The InChIKey is BQTKCFDTFIEVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)12-17(20)13-18-15-8-10-19(11-9-15)16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol?
4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 103779736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).