1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol

C15H29NO — CID 170062975

IUPAC1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol
SMILESCCC(O)N1CCC(CCCC=C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-4-15(17)16-11-9-14(10-12-16)8-6-5-7-13(2)3/h7,14-15,17H,4-6,8-12H2,1-3H3
InChIKeyICAPLQUIDGAZOC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.56
Rot. Bonds6

About 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol

1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol (PubChem CID 170062975) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol
PubChem CID170062975
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol
SMILESCCC(O)N1CCC(CCCC=C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-4-15(17)16-11-9-14(10-12-16)8-6-5-7-13(2)3/h7,14-15,17H,4-6,8-12H2,1-3H3
InChIKeyICAPLQUIDGAZOC-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol (CID 170062975) is 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol is CCC(O)N1CCC(CCCC=C(C)C)CC1.
What is the InChIKey of 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol?
The InChIKey is ICAPLQUIDGAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-15(17)16-11-9-14(10-12-16)8-6-5-7-13(2)3/h7,14-15,17H,4-6,8-12H2,1-3H3.
What are the key properties of 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol?
1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylhex-4-enyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 170062975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).