3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol

C15H23NO2 — CID 170887594

IUPAC3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol
SMILESOCCCc1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C15H23NO2/c17-11-3-5-14-4-1-2-6-15(14)16-9-7-13(12-18)8-10-16/h1-2,4,6,13,17-18H,3,5,7-12H2
InChIKeyPCBPCHPFYRNBLH-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.82
Rot. Bonds5

About 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol

3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol (PubChem CID 170887594) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol
PubChem CID170887594
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol
SMILESOCCCc1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C15H23NO2/c17-11-3-5-14-4-1-2-6-15(14)16-9-7-13(12-18)8-10-16/h1-2,4,6,13,17-18H,3,5,7-12H2
InChIKeyPCBPCHPFYRNBLH-UHFFFAOYSA-N
XLogP1.82
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
3-[2-(2-methylpyrrolidin-1-yl)phenyl]propan-1-ol
CID 69333392
[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 64865830
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882
[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
CID 117027938
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 126803823
1-(2-butylphenyl)piperazine
CID 14479835
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol (CID 170887594) is 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol is OCCCc1ccccc1N1CCC(CO)CC1.
What is the InChIKey of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol?
The InChIKey is PCBPCHPFYRNBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-11-3-5-14-4-1-2-6-15(14)16-9-7-13(12-18)8-10-16/h1-2,4,6,13,17-18H,3,5,7-12H2.
What are the key properties of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol?
3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 170887594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).