N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline

C20H32N2 — CID 83949822

IUPACN-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N2/c1-17-12-15-22(16-13-17)20-9-7-19(8-10-20)21-14-11-18-5-3-2-4-6-18/h7-10,17-18,21H,2-6,11-16H2,1H3
InChIKeyQHOSRHWXIPIZSJ-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.31
Rot. Bonds5

About N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline

N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline (PubChem CID 83949822) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline
PubChem CID83949822
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N2/c1-17-12-15-22(16-13-17)20-9-7-19(8-10-20)21-14-11-18-5-3-2-4-6-18/h7-10,17-18,21H,2-6,11-16H2,1H3
InChIKeyQHOSRHWXIPIZSJ-UHFFFAOYSA-N
XLogP5.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
N-(2-cyclodecylethyl)cyclodecapentaenamine
CID 155323771
N-(2-cycloundecylethyl)cyclodecapentaenamine
CID 155097457
N-(2-cyclotridecylethyl)cyclodecapentaenamine
CID 167244550
1-(2-cyclohexylethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108888595
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
CID 83949753
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
CID 60919964
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949682
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline (CID 83949822) is N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccc(NCCC3CCCCC3)cc2)CC1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline?
The InChIKey is QHOSRHWXIPIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-17-12-15-22(16-13-17)20-9-7-19(8-10-20)21-14-11-18-5-3-2-4-6-18/h7-10,17-18,21H,2-6,11-16H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline?
N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline has a molecular weight of 300.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 83949822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).