N-(cyclohexylmethyl)-4-piperidin-1-ylaniline

C18H28N2 — CID 43228030

IUPACN-(cyclohexylmethyl)-4-piperidin-1-ylaniline
SMILESc1cc(N2CCCCC2)ccc1NCC1CCCCC1
InChIInChI=1S/C18H28N2/c1-3-7-16(8-4-1)15-19-17-9-11-18(12-10-17)20-13-5-2-6-14-20/h9-12,16,19H,1-8,13-15H2
InChIKeyKMLPZQWZDKPMEV-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.67
Rot. Bonds4

About N-(cyclohexylmethyl)-4-piperidin-1-ylaniline

N-(cyclohexylmethyl)-4-piperidin-1-ylaniline (PubChem CID 43228030) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-piperidin-1-ylaniline
PubChem CID43228030
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(cyclohexylmethyl)-4-piperidin-1-ylaniline
SMILESc1cc(N2CCCCC2)ccc1NCC1CCCCC1
InChIInChI=1S/C18H28N2/c1-3-7-16(8-4-1)15-19-17-9-11-18(12-10-17)20-13-5-2-6-14-20/h9-12,16,19H,1-8,13-15H2
InChIKeyKMLPZQWZDKPMEV-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.67
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
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol
CID 83949101
N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline
CID 112721998
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
4-(cyclooctylmethylamino)phenol
CID 53404225
4-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)aniline
CID 112722051
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 62071393
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-piperidin-1-ylaniline?
The IUPAC name of N-(cyclohexylmethyl)-4-piperidin-1-ylaniline (CID 43228030) is N-(cyclohexylmethyl)-4-piperidin-1-ylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-piperidin-1-ylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-piperidin-1-ylaniline is c1cc(N2CCCCC2)ccc1NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-piperidin-1-ylaniline?
The InChIKey is KMLPZQWZDKPMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-7-16(8-4-1)15-19-17-9-11-18(12-10-17)20-13-5-2-6-14-20/h9-12,16,19H,1-8,13-15H2.
What are the key properties of N-(cyclohexylmethyl)-4-piperidin-1-ylaniline?
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline has a molecular weight of 272.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-piperidin-1-ylaniline is sourced from PubChem (CID 43228030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).