N,N-dihexyl-2-piperidin-1-ylaniline

C23H40N2 — CID 66869009

IUPACN,N-dihexyl-2-piperidin-1-ylaniline
SMILESCCCCCCN(CCCCCC)c1ccccc1N1CCCCC1
InChIInChI=1S/C23H40N2/c1-3-5-7-12-18-24(19-13-8-6-4-2)22-16-10-11-17-23(22)25-20-14-9-15-21-25/h10-11,16-17H,3-9,12-15,18-21H2,1-2H3
InChIKeyDRGOKDHNIWRDAU-UHFFFAOYSA-N
MW344.59 g/mol
LogP6.64
Rot. Bonds12

About N,N-dihexyl-2-piperidin-1-ylaniline

N,N-dihexyl-2-piperidin-1-ylaniline (PubChem CID 66869009) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is N,N-dihexyl-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN,N-dihexyl-2-piperidin-1-ylaniline
PubChem CID66869009
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC NameN,N-dihexyl-2-piperidin-1-ylaniline
SMILESCCCCCCN(CCCCCC)c1ccccc1N1CCCCC1
InChIInChI=1S/C23H40N2/c1-3-5-7-12-18-24(19-13-8-6-4-2)22-16-10-11-17-23(22)25-20-14-9-15-21-25/h10-11,16-17H,3-9,12-15,18-21H2,1-2H3
InChIKeyDRGOKDHNIWRDAU-UHFFFAOYSA-N
XLogP6.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-dihexylaniline
CID 139723528
2-(dioctadecylamino)phenol
CID 67178725
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
1-(2-butoxyphenyl)pyrrolidine
CID 154391189
azane;1-(2-butylphenyl)piperidine
CID 70222464
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
4-N,4-N,5-N,5-N-tetraheptyl-9H-fluorene-4,5-diamine
CID 67058500
N,N-dihexyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 176916059
2,3-bis(dipentylamino)phenol
CID 67225665
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
(1R)-1-(2-piperidin-1-ylphenyl)pentan-1-amine
CID 129363410

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-piperidin-1-ylaniline?
The IUPAC name of N,N-dihexyl-2-piperidin-1-ylaniline (CID 66869009) is N,N-dihexyl-2-piperidin-1-ylaniline.
What is the SMILES notation for N,N-dihexyl-2-piperidin-1-ylaniline?
The canonical SMILES for N,N-dihexyl-2-piperidin-1-ylaniline is CCCCCCN(CCCCCC)c1ccccc1N1CCCCC1.
What is the InChIKey of N,N-dihexyl-2-piperidin-1-ylaniline?
The InChIKey is DRGOKDHNIWRDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-3-5-7-12-18-24(19-13-8-6-4-2)22-16-10-11-17-23(22)25-20-14-9-15-21-25/h10-11,16-17H,3-9,12-15,18-21H2,1-2H3.
What are the key properties of N,N-dihexyl-2-piperidin-1-ylaniline?
N,N-dihexyl-2-piperidin-1-ylaniline has a molecular weight of 344.59 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-piperidin-1-ylaniline is sourced from PubChem (CID 66869009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).