2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol

C18H30N2O — CID 63848691

IUPAC2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
SMILESCCCNCC1CCCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-12-19-14-17-11-7-8-13-20(17)15-18(2,21)16-9-5-4-6-10-16/h4-6,9-10,17,19,21H,3,7-8,11-15H2,1-2H3
InChIKeyMYGIUUXVPHNQQT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.75
Rot. Bonds7

About 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol

2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol (PubChem CID 63848691) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
PubChem CID63848691
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
SMILESCCCNCC1CCCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-12-19-14-17-11-7-8-13-20(17)15-18(2,21)16-9-5-4-6-10-16/h4-6,9-10,17,19,21H,3,7-8,11-15H2,1-2H3
InChIKeyMYGIUUXVPHNQQT-UHFFFAOYSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 55220491
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
[1-[3-(ethylamino)-2-methyl-2-phenylpropyl]piperidin-2-yl]methanol
CID 62260867
2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
CID 83046324
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol (CID 63848691) is 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol is CCCNCC1CCCCN1CC(C)(O)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is MYGIUUXVPHNQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-12-19-14-17-11-7-8-13-20(17)15-18(2,21)16-9-5-4-6-10-16/h4-6,9-10,17,19,21H,3,7-8,11-15H2,1-2H3.
What are the key properties of 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol?
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63848691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).