1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine

C19H32N2 — CID 63793962

IUPAC1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCCC1CCN(c2ccc(CC(N)CC)c(C)c2)CC1
InChIInChI=1S/C19H32N2/c1-4-6-16-9-11-21(12-10-16)19-8-7-17(15(3)13-19)14-18(20)5-2/h7-8,13,16,18H,4-6,9-12,14,20H2,1-3H3
InChIKeyGJVWZVCJQJWYAZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.29
Rot. Bonds6

About 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine

1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 63793962) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
PubChem CID63793962
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCCC1CCN(c2ccc(CC(N)CC)c(C)c2)CC1
InChIInChI=1S/C19H32N2/c1-4-6-16-9-11-21(12-10-16)19-8-7-17(15(3)13-19)14-18(20)5-2/h7-8,13,16,18H,4-6,9-12,14,20H2,1-3H3
InChIKeyGJVWZVCJQJWYAZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine (CID 63793962) is 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine is CCCC1CCN(c2ccc(CC(N)CC)c(C)c2)CC1.
What is the InChIKey of 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is GJVWZVCJQJWYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-16-9-11-21(12-10-16)19-8-7-17(15(3)13-19)14-18(20)5-2/h7-8,13,16,18H,4-6,9-12,14,20H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine?
1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63793962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).