N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline

C19H30N2 — CID 83949888

IUPACN-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H30N2/c1-16-11-13-21(14-12-16)19-9-7-18(8-10-19)20-15-17-5-3-2-4-6-17/h7-10,16-17,20H,2-6,11-15H2,1H3
InChIKeyKOKVZCIFVOASFJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.92
Rot. Bonds4

About N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline

N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline (PubChem CID 83949888) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
PubChem CID83949888
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H30N2/c1-16-11-13-21(14-12-16)19-9-7-18(8-10-19)20-15-17-5-3-2-4-6-17/h7-10,16-17,20H,2-6,11-15H2,1H3
InChIKeyKOKVZCIFVOASFJ-UHFFFAOYSA-N
XLogP4.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.92
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-piperidin-1-ylaniline
CID 43228030
N-(2-cyclohexylethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949822
N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline
CID 112721998
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
4-(cyclooctylmethylamino)phenol
CID 53404225
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine
CID 59229868
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
4-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)aniline
CID 112722051
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
CID 83949753
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline (CID 83949888) is N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccc(NCC3CCCCC3)cc2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
The InChIKey is KOKVZCIFVOASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-11-13-21(14-12-16)19-9-7-18(8-10-19)20-15-17-5-3-2-4-6-17/h7-10,16-17,20H,2-6,11-15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline?
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline has a molecular weight of 286.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 83949888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).