1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol

C17H32N2O — CID 176691659

IUPAC1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol
SMILESC=C(CCC(CCC)N1CCC(O)CC1)C1CCNC1
InChIInChI=1S/C17H32N2O/c1-3-4-16(19-11-8-17(20)9-12-19)6-5-14(2)15-7-10-18-13-15/h15-18,20H,2-13H2,1H3
InChIKeyRNRZUWQOYAEQHU-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.56
Rot. Bonds7

About 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol

1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol (PubChem CID 176691659) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol
PubChem CID176691659
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol
SMILESC=C(CCC(CCC)N1CCC(O)CC1)C1CCNC1
InChIInChI=1S/C17H32N2O/c1-3-4-16(19-11-8-17(20)9-12-19)6-5-14(2)15-7-10-18-13-15/h15-18,20H,2-13H2,1H3
InChIKeyRNRZUWQOYAEQHU-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine
CID 176927912
(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11579233
2-Propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
CID 73018183

Frequently Asked Questions

What is the IUPAC name of 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol?
The IUPAC name of 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol (CID 176691659) is 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol is C=C(CCC(CCC)N1CCC(O)CC1)C1CCNC1.
What is the InChIKey of 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol?
The InChIKey is RNRZUWQOYAEQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-4-16(19-11-8-17(20)9-12-19)6-5-14(2)15-7-10-18-13-15/h15-18,20H,2-13H2,1H3.
What are the key properties of 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol?
1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol has a molecular weight of 280.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol is sourced from PubChem (CID 176691659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).