4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

C22H31N5O — CID 58865749

IUPAC4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CNc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H31N5O/c1-28-19-12-10-17(11-13-19)16-23-21-24-20(18-8-4-2-5-9-18)25-22(26-21)27-14-6-3-7-15-27/h10-13,18H,2-9,14-16H2,1H3,(H,23,24,25,26)
InChIKeyHKSFNWXPNABDSE-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.53
Rot. Bonds6

About 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 58865749) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID58865749
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CNc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H31N5O/c1-28-19-12-10-17(11-13-19)16-23-21-24-20(18-8-4-2-5-9-18)25-22(26-21)27-14-6-3-7-15-27/h10-13,18H,2-9,14-16H2,1H3,(H,23,24,25,26)
InChIKeyHKSFNWXPNABDSE-UHFFFAOYSA-N
XLogP4.53
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 71189285
N-[(3-aminophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine;azane;molecular hydrogen;hydrochloride
CID 160565659
azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen
CID 161199444
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
azane;molecular hydrogen;N-[(4-phenoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 161356785
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 159172305
azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen
CID 157258654
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 10971832
1-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2-methylguanidine
CID 58865668
4,6-bis(azepan-1-yl)-N-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 5186546
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 58865749) is 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is COc1ccc(CNc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HKSFNWXPNABDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-28-19-12-10-17(11-13-19)16-23-21-24-20(18-8-4-2-5-9-18)25-22(26-21)27-14-6-3-7-15-27/h10-13,18H,2-9,14-16H2,1H3,(H,23,24,25,26).
What are the key properties of 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 381.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 58865749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).