[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol

C16H20N2O — CID 154725709

IUPAC[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol
SMILESNCC(CCc1cncc(CO)c1)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-9-16(15-4-2-1-3-5-15)7-6-13-8-14(12-19)11-18-10-13/h1-5,8,10-11,16,19H,6-7,9,12,17H2
InChIKeyVALAUZQWFZPDCP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.25
Rot. Bonds6

About [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol

[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol (PubChem CID 154725709) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol
PubChem CID154725709
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol
SMILESNCC(CCc1cncc(CO)c1)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-9-16(15-4-2-1-3-5-15)7-6-13-8-14(12-19)11-18-10-13/h1-5,8,10-11,16,19H,6-7,9,12,17H2
InChIKeyVALAUZQWFZPDCP-UHFFFAOYSA-N
XLogP2.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol?
The IUPAC name of [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol (CID 154725709) is [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol is NCC(CCc1cncc(CO)c1)c1ccccc1.
What is the InChIKey of [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol?
The InChIKey is VALAUZQWFZPDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-9-16(15-4-2-1-3-5-15)7-6-13-8-14(12-19)11-18-10-13/h1-5,8,10-11,16,19H,6-7,9,12,17H2.
What are the key properties of [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol?
[5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol has a molecular weight of 256.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3S)-4-amino-3-phenylbutyl]-3-pyridinyl]methanol is sourced from PubChem (CID 154725709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).