2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol

C18H30N2O — CID 106637768

IUPAC2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC1CCCNC1)CC(C)(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(2)20(13-16-8-7-11-19-12-16)14-18(3,21)17-9-5-4-6-10-17/h4-6,9-10,15-16,19,21H,7-8,11-14H2,1-3H3
InChIKeyVCCZNOZZHRUWOS-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds6

About 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol

2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol (PubChem CID 106637768) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol
PubChem CID106637768
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC1CCCNC1)CC(C)(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(2)20(13-16-8-7-11-19-12-16)14-18(3,21)17-9-5-4-6-10-17/h4-6,9-10,15-16,19,21H,7-8,11-14H2,1-3H3
InChIKeyVCCZNOZZHRUWOS-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol (CID 106637768) is 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol is CC(C)N(CC1CCCNC1)CC(C)(O)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is VCCZNOZZHRUWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)20(13-16-8-7-11-19-12-16)14-18(3,21)17-9-5-4-6-10-17/h4-6,9-10,15-16,19,21H,7-8,11-14H2,1-3H3.
What are the key properties of 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 106637768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).