(1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol

C15H25NOS — CID 19900552

IUPAC(1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol
SMILESCCCCCN1CCC(c2cccs2)C(CO)C1
InChIInChI=1S/C15H25NOS/c1-2-3-4-8-16-9-7-14(13(11-16)12-17)15-6-5-10-18-15/h5-6,10,13-14,17H,2-4,7-9,11-12H2,1H3
InChIKeyKCSGCYJIONRYDV-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.34
Rot. Bonds6

About (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol

(1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol (PubChem CID 19900552) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol
PubChem CID19900552
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol
SMILESCCCCCN1CCC(c2cccs2)C(CO)C1
InChIInChI=1S/C15H25NOS/c1-2-3-4-8-16-9-7-14(13(11-16)12-17)15-6-5-10-18-15/h5-6,10,13-14,17H,2-4,7-9,11-12H2,1H3
InChIKeyKCSGCYJIONRYDV-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol?
The IUPAC name of (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol (CID 19900552) is (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol.
What is the SMILES notation for (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol?
The canonical SMILES for (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol is CCCCCN1CCC(c2cccs2)C(CO)C1.
What is the InChIKey of (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol?
The InChIKey is KCSGCYJIONRYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-2-3-4-8-16-9-7-14(13(11-16)12-17)15-6-5-10-18-15/h5-6,10,13-14,17H,2-4,7-9,11-12H2,1H3.
What are the key properties of (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol?
(1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol has a molecular weight of 267.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentyl-4-thiophen-2-ylpiperidin-3-yl)methanol is sourced from PubChem (CID 19900552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).