3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline

C16H26N2 — CID 142307822

IUPAC3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline
SMILESCc1cc(N)cc(C)c1CCCN1CCCCC1
InChIInChI=1S/C16H26N2/c1-13-11-15(17)12-14(2)16(13)7-6-10-18-8-4-3-5-9-18/h11-12H,3-10,17H2,1-2H3
InChIKeyUSVUMIJJFNAPPQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.30
Rot. Bonds4

About 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline

3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline (PubChem CID 142307822) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline
PubChem CID142307822
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline
SMILESCc1cc(N)cc(C)c1CCCN1CCCCC1
InChIInChI=1S/C16H26N2/c1-13-11-15(17)12-14(2)16(13)7-6-10-18-8-4-3-5-9-18/h11-12H,3-10,17H2,1-2H3
InChIKeyUSVUMIJJFNAPPQ-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476
1-[3-[6-(3-pyrrolidin-1-ylpropyl)cyclohexa-1,5-dien-1-yl]propyl]piperidine
CID 155111616
3-methyl-4-(2-piperidin-1-ylethylsulfanyl)aniline
CID 43303226
1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
CID 82485339
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
CID 170862633
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
2-[3-(azepan-1-yl)propyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 18885639
6-(3-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 154654076

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline?
The IUPAC name of 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline (CID 142307822) is 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline is Cc1cc(N)cc(C)c1CCCN1CCCCC1.
What is the InChIKey of 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline?
The InChIKey is USVUMIJJFNAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-11-15(17)12-14(2)16(13)7-6-10-18-8-4-3-5-9-18/h11-12H,3-10,17H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline?
3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 142307822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).