4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine

C18H27N3 — CID 58610231

IUPAC4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
SMILESCn1cc(C2CCN(CCCCN)CC2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-20-14-17(16-6-2-3-7-18(16)20)15-8-12-21(13-9-15)11-5-4-10-19/h2-3,6-7,14-15H,4-5,8-13,19H2,1H3
InChIKeyDJXHQXGKKHLOAY-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.10
Rot. Bonds5

About 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine

4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine (PubChem CID 58610231) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
PubChem CID58610231
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
SMILESCn1cc(C2CCN(CCCCN)CC2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-20-14-17(16-6-2-3-7-18(16)20)15-8-12-21(13-9-15)11-5-4-10-19/h2-3,6-7,14-15H,4-5,8-13,19H2,1H3
InChIKeyDJXHQXGKKHLOAY-UHFFFAOYSA-N
XLogP3.10
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.10
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 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine (CID 58610231) is 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine is Cn1cc(C2CCN(CCCCN)CC2)c2ccccc21.
What is the InChIKey of 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine?
The InChIKey is DJXHQXGKKHLOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-20-14-17(16-6-2-3-7-18(16)20)15-8-12-21(13-9-15)11-5-4-10-19/h2-3,6-7,14-15H,4-5,8-13,19H2,1H3.
What are the key properties of 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine?
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 58610231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).