N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine

C17H28N2 — CID 116988972

IUPACN,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine
SMILESCNCC(c1cccc(C2CCNCC2)c1)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(12-18-3)16-6-4-5-15(11-16)14-7-9-19-10-8-14/h4-6,11,13-14,17-19H,7-10,12H2,1-3H3
InChIKeyPQXKGCWEIWRSQF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.11
Rot. Bonds5

About N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine

N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine (PubChem CID 116988972) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine
PubChem CID116988972
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine
SMILESCNCC(c1cccc(C2CCNCC2)c1)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(12-18-3)16-6-4-5-15(11-16)14-7-9-19-10-8-14/h4-6,11,13-14,17-19H,7-10,12H2,1-3H3
InChIKeyPQXKGCWEIWRSQF-UHFFFAOYSA-N
XLogP3.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-piperidin-4-ylphenyl)butan-1-amine
CID 117336960
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-(3-piperidin-4-ylphenyl)butanal
CID 117334938
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
CID 116988907
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
(2S)-2-(3-cyclopropylphenyl)propan-1-ol
CID 129077577
1-(3-cyclopropylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912347
N-methyl-N-methylsulfanyl-3-piperidin-4-ylaniline
CID 155107747
4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
CID 79978067
2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol
CID 116988654
1-cyclohexyl-3-(3-methyl-1-phenylmethoxybutan-2-yl)benzene
CID 170756069

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine (CID 116988972) is N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine is CNCC(c1cccc(C2CCNCC2)c1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine?
The InChIKey is PQXKGCWEIWRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)17(12-18-3)16-6-4-5-15(11-16)14-7-9-19-10-8-14/h4-6,11,13-14,17-19H,7-10,12H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine?
N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(3-piperidin-4-ylphenyl)butan-1-amine is sourced from PubChem (CID 116988972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).