N-butyl-N-(piperidin-3-ylmethyl)aniline

C16H26N2 — CID 64585199

IUPACN-butyl-N-(piperidin-3-ylmethyl)aniline
SMILESCCCCN(CC1CCCNC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-3-12-18(16-9-5-4-6-10-16)14-15-8-7-11-17-13-15/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3
InChIKeyJUCOGEVCXXJUPD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.29
Rot. Bonds6

About N-butyl-N-(piperidin-3-ylmethyl)aniline

N-butyl-N-(piperidin-3-ylmethyl)aniline (PubChem CID 64585199) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-butyl-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-butyl-N-(piperidin-3-ylmethyl)aniline
PubChem CID64585199
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-butyl-N-(piperidin-3-ylmethyl)aniline
SMILESCCCCN(CC1CCCNC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-3-12-18(16-9-5-4-6-10-16)14-15-8-7-11-17-13-15/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3
InChIKeyJUCOGEVCXXJUPD-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
2-methoxy-N-(piperidin-3-ylmethyl)-N-propylpyridin-4-amine
CID 106643981
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of N-butyl-N-(piperidin-3-ylmethyl)aniline (CID 64585199) is N-butyl-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for N-butyl-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for N-butyl-N-(piperidin-3-ylmethyl)aniline is CCCCN(CC1CCCNC1)c1ccccc1.
What is the InChIKey of N-butyl-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is JUCOGEVCXXJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-12-18(16-9-5-4-6-10-16)14-15-8-7-11-17-13-15/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3.
What are the key properties of N-butyl-N-(piperidin-3-ylmethyl)aniline?
N-butyl-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 64585199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).