N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine

C19H32N2 — CID 173324718

IUPACN-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine
SMILESCc1ccc(CCNCCCCN2CCCCC2)cc1C
InChIInChI=1S/C19H32N2/c1-17-8-9-19(16-18(17)2)10-12-20-11-4-7-15-21-13-5-3-6-14-21/h8-9,16,20H,3-7,10-15H2,1-2H3
InChIKeyNJRXBMJCVWKQDK-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine

N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine (PubChem CID 173324718) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine
PubChem CID173324718
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine
SMILESCc1ccc(CCNCCCCN2CCCCC2)cc1C
InChIInChI=1S/C19H32N2/c1-17-8-9-19(16-18(17)2)10-12-20-11-4-7-15-21-13-5-3-6-14-21/h8-9,16,20H,3-7,10-15H2,1-2H3
InChIKeyNJRXBMJCVWKQDK-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111589868
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
2-methyl-N-(2-methylphenyl)-4-(4-pyrrolidin-1-ylbutyl)aniline
CID 22662685
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide
CID 110642888

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine (CID 173324718) is N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine is Cc1ccc(CCNCCCCN2CCCCC2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine?
The InChIKey is NJRXBMJCVWKQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-17-8-9-19(16-18(17)2)10-12-20-11-4-7-15-21-13-5-3-6-14-21/h8-9,16,20H,3-7,10-15H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine?
N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 173324718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).