1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol

C15H24N2O — CID 111755497

IUPAC1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
SMILESCN1CCC(NCC(O)Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-17-9-7-14(8-10-17)16-12-15(18)11-13-5-3-2-4-6-13/h2-6,14-16,18H,7-12H2,1H3
InChIKeyJZDDDOJNAYBEPM-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.27
Rot. Bonds5

About 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol

1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol (PubChem CID 111755497) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
PubChem CID111755497
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
SMILESCN1CCC(NCC(O)Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-17-9-7-14(8-10-17)16-12-15(18)11-13-5-3-2-4-6-13/h2-6,14-16,18H,7-12H2,1H3
InChIKeyJZDDDOJNAYBEPM-UHFFFAOYSA-N
XLogP1.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-[[1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol;dihydrochloride
CID 158257868
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 23934706
N-[(2S)-2-hydrazinyl-2-phenylethyl]-1-methylpiperidin-4-amine
CID 126609529
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol (CID 111755497) is 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol is CN1CCC(NCC(O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol?
The InChIKey is JZDDDOJNAYBEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17-9-7-14(8-10-17)16-12-15(18)11-13-5-3-2-4-6-13/h2-6,14-16,18H,7-12H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol?
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 111755497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).