2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine

C17H28N2 — CID 62937911

IUPAC2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCC(c1ccccc1)C(CN)N1CCC(C)(C)CC1
InChIInChI=1S/C17H28N2/c1-14(15-7-5-4-6-8-15)16(13-18)19-11-9-17(2,3)10-12-19/h4-8,14,16H,9-13,18H2,1-3H3
InChIKeyRNFBOVHBKKDJKE-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.24
Rot. Bonds4

About 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine

2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine (PubChem CID 62937911) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
PubChem CID62937911
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCC(c1ccccc1)C(CN)N1CCC(C)(C)CC1
InChIInChI=1S/C17H28N2/c1-14(15-7-5-4-6-8-15)16(13-18)19-11-9-17(2,3)10-12-19/h4-8,14,16H,9-13,18H2,1-3H3
InChIKeyRNFBOVHBKKDJKE-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine (CID 62937911) is 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine is CC(c1ccccc1)C(CN)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine?
The InChIKey is RNFBOVHBKKDJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(15-7-5-4-6-8-15)16(13-18)19-11-9-17(2,3)10-12-19/h4-8,14,16H,9-13,18H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine is sourced from PubChem (CID 62937911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).