N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine

C18H28N6 — CID 71919240

IUPACN,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine
SMILESCN1CCC(N(C)c2ccccc2CNCc2ncnn2C)CC1
InChIInChI=1S/C18H28N6/c1-22-10-8-16(9-11-22)23(2)17-7-5-4-6-15(17)12-19-13-18-20-14-21-24(18)3/h4-7,14,16,19H,8-13H2,1-3H3
InChIKeyNZSSAUQDOLTFMS-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.64
Rot. Bonds6

About N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine

N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine (PubChem CID 71919240) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine
PubChem CID71919240
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine
SMILESCN1CCC(N(C)c2ccccc2CNCc2ncnn2C)CC1
InChIInChI=1S/C18H28N6/c1-22-10-8-16(9-11-22)23(2)17-7-5-4-6-15(17)12-19-13-18-20-14-21-24(18)3/h4-7,14,16,19H,8-13H2,1-3H3
InChIKeyNZSSAUQDOLTFMS-UHFFFAOYSA-N
XLogP1.64
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine (CID 71919240) is N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine is CN1CCC(N(C)c2ccccc2CNCc2ncnn2C)CC1.
What is the InChIKey of N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine?
The InChIKey is NZSSAUQDOLTFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-22-10-8-16(9-11-22)23(2)17-7-5-4-6-15(17)12-19-13-18-20-14-21-24(18)3/h4-7,14,16,19H,8-13H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine?
N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-[[(2-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenyl]piperidin-4-amine is sourced from PubChem (CID 71919240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).