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

C15H23NO — CID 117339044

IUPAC2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
SMILESCC(CO)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO/c1-13(12-17)15-7-5-6-14(10-15)11-16-8-3-2-4-9-16/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3
InChIKeyLRMGQLLBURFYMN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.77
Rot. Bonds4

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

2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol (PubChem CID 117339044) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
PubChem CID117339044
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
SMILESCC(CO)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO/c1-13(12-17)15-7-5-6-14(10-15)11-16-8-3-2-4-9-16/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3
InChIKeyLRMGQLLBURFYMN-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117313419
3-amino-1-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diol
CID 170828840
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
CID 168593426
(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
CID 70943120
[3-(piperidin-1-ylmethyl)phenyl]methanethiol
CID 57304905
3-(azepan-1-ylmethyl)aniline
CID 6484183
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454985
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine
CID 162545804
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840

Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol?
The IUPAC name of 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol (CID 117339044) is 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol is CC(CO)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol?
The InChIKey is LRMGQLLBURFYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(12-17)15-7-5-6-14(10-15)11-16-8-3-2-4-9-16/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3.
What are the key properties of 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol?
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117339044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).