N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline

C16H26N2 — CID 112736831

IUPACN-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
SMILESCCCCN(C[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-3-13-18(16-10-5-4-6-11-16)14-15-9-7-8-12-17-15/h4-6,10-11,15,17H,2-3,7-9,12-14H2,1H3/t15-/m0/s1
InChIKeyRZIVBVPVOJSFMR-HNNXBMFYSA-N
MW246.40 g/mol
LogP3.44
Rot. Bonds6

About N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline

N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline (PubChem CID 112736831) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
PubChem CID112736831
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
SMILESCCCCN(C[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-3-13-18(16-10-5-4-6-11-16)14-15-9-7-8-12-17-15/h4-6,10-11,15,17H,2-3,7-9,12-14H2,1H3/t15-/m0/s1
InChIKeyRZIVBVPVOJSFMR-HNNXBMFYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-butyl-N-phenyl-2-piperidin-2-ylacetamide
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N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
CID 151260872
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
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N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444
N-butyl-N-phenylpiperidine-2-carboxamide
CID 64587130
(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
CID 104914056
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline?
The IUPAC name of N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline (CID 112736831) is N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline.
What is the SMILES notation for N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline?
The canonical SMILES for N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline is CCCCN(C[C@@H]1CCCCN1)c1ccccc1.
What is the InChIKey of N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline?
The InChIKey is RZIVBVPVOJSFMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-13-18(16-10-5-4-6-11-16)14-15-9-7-8-12-17-15/h4-6,10-11,15,17H,2-3,7-9,12-14H2,1H3/t15-/m0/s1.
What are the key properties of N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline?
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline is sourced from PubChem (CID 112736831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).