4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine

C15H25N3 — CID 65193981

IUPAC4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine
SMILESCC(NC1(CN)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H25N3/c1-13(14-6-4-3-5-7-14)17-15(12-16)8-10-18(2)11-9-15/h3-7,13,17H,8-12,16H2,1-2H3
InChIKeyXGZKKNNZLSTMLO-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.76
Rot. Bonds4

About 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine

4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine (PubChem CID 65193981) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine
PubChem CID65193981
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine
SMILESCC(NC1(CN)CCN(C)CC1)c1ccccc1
InChIInChI=1S/C15H25N3/c1-13(14-6-4-3-5-7-14)17-15(12-16)8-10-18(2)11-9-15/h3-7,13,17H,8-12,16H2,1-2H3
InChIKeyXGZKKNNZLSTMLO-UHFFFAOYSA-N
XLogP1.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine (CID 65193981) is 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine is CC(NC1(CN)CCN(C)CC1)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine?
The InChIKey is XGZKKNNZLSTMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(14-6-4-3-5-7-14)17-15(12-16)8-10-18(2)11-9-15/h3-7,13,17H,8-12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine?
4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 65193981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).