(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol

C18H29NO — CID 10636143

IUPAC(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
SMILESCCCCC[C@H]1CCCCN1[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H29NO/c1-2-3-5-12-17-13-8-9-14-19(17)18(15-20)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,20H,2-3,5,8-9,12-15H2,1H3/t17-,18-/m0/s1
InChIKeyUZYMYMQXSRKJKP-ROUUACIJSA-N
MW275.44 g/mol
LogP4.15
Rot. Bonds7

About (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol

(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol (PubChem CID 10636143) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
PubChem CID10636143
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
SMILESCCCCC[C@H]1CCCCN1[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H29NO/c1-2-3-5-12-17-13-8-9-14-19(17)18(15-20)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,20H,2-3,5,8-9,12-15H2,1H3/t17-,18-/m0/s1
InChIKeyUZYMYMQXSRKJKP-ROUUACIJSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol (CID 10636143) is (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol is CCCCC[C@H]1CCCCN1[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol?
The InChIKey is UZYMYMQXSRKJKP-ROUUACIJSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-5-12-17-13-8-9-14-19(17)18(15-20)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,20H,2-3,5,8-9,12-15H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol?
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol has a molecular weight of 275.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol is sourced from PubChem (CID 10636143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).