1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol

C18H30N2O — CID 62261469

IUPAC1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
SMILESCC(C)NCC(C)(CN1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(2)19-13-18(3,16-7-5-4-6-8-16)14-20-11-9-17(21)10-12-20/h4-8,15,17,19,21H,9-14H2,1-3H3
InChIKeyPHFLSKYGAGZYHU-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.40
Rot. Bonds6

About 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol

1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol (PubChem CID 62261469) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
PubChem CID62261469
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
SMILESCC(C)NCC(C)(CN1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(2)19-13-18(3,16-7-5-4-6-8-16)14-20-11-9-17(21)10-12-20/h4-8,15,17,19,21H,9-14H2,1-3H3
InChIKeyPHFLSKYGAGZYHU-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
1-(3-amino-2-methyl-2-phenylpropyl)pyrrolidin-3-ol
CID 55131558
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
N-cyclopropyl-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62262364
N,2-dimethyl-2-phenyl-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62257926
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873
N-(cyclobutylmethyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62862088
3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65282057
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
2-methyl-2-phenyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 62271685
3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 55163333

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol (CID 62261469) is 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol is CC(C)NCC(C)(CN1CCC(O)CC1)c1ccccc1.
What is the InChIKey of 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
The InChIKey is PHFLSKYGAGZYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)19-13-18(3,16-7-5-4-6-8-16)14-20-11-9-17(21)10-12-20/h4-8,15,17,19,21H,9-14H2,1-3H3.
What are the key properties of 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol?
1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol has a molecular weight of 290.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 62261469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).