N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline

C19H30N2 — CID 10989804

IUPACN,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline
SMILESCN(C)c1ccc([C@@H]2CCCC[C@H]2N2CCCCC2)cc1
InChIInChI=1S/C19H30N2/c1-20(2)17-12-10-16(11-13-17)18-8-4-5-9-19(18)21-14-6-3-7-15-21/h10-13,18-19H,3-9,14-15H2,1-2H3/t18-,19+/m0/s1
InChIKeyHZTNRLVQMLIRST-RBUKOAKNSA-N
MW286.46 g/mol
LogP4.26
Rot. Bonds3

About N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline

N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline (PubChem CID 10989804) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline
PubChem CID10989804
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline
SMILESCN(C)c1ccc([C@@H]2CCCC[C@H]2N2CCCCC2)cc1
InChIInChI=1S/C19H30N2/c1-20(2)17-12-10-16(11-13-17)18-8-4-5-9-19(18)21-14-6-3-7-15-21/h10-13,18-19H,3-9,14-15H2,1-2H3/t18-,19+/m0/s1
InChIKeyHZTNRLVQMLIRST-RBUKOAKNSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline (CID 10989804) is N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline is CN(C)c1ccc([C@@H]2CCCC[C@H]2N2CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline?
The InChIKey is HZTNRLVQMLIRST-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H30N2/c1-20(2)17-12-10-16(11-13-17)18-8-4-5-9-19(18)21-14-6-3-7-15-21/h10-13,18-19H,3-9,14-15H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline?
N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline has a molecular weight of 286.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline is sourced from PubChem (CID 10989804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).