N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine

C19H29N5 — CID 46994406

IUPACN-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCNCc1cn(C2CCN(CCC(C)c3ccccc3)CC2)nn1
InChIInChI=1S/C19H29N5/c1-16(17-6-4-3-5-7-17)8-11-23-12-9-19(10-13-23)24-15-18(14-20-2)21-22-24/h3-7,15-16,19-20H,8-14H2,1-2H3
InChIKeyFLNHAGQQQWTXQD-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.83
Rot. Bonds7

About N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine

N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine (PubChem CID 46994406) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine
PubChem CID46994406
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCNCc1cn(C2CCN(CCC(C)c3ccccc3)CC2)nn1
InChIInChI=1S/C19H29N5/c1-16(17-6-4-3-5-7-17)8-11-23-12-9-19(10-13-23)24-15-18(14-20-2)21-22-24/h3-7,15-16,19-20H,8-14H2,1-2H3
InChIKeyFLNHAGQQQWTXQD-UHFFFAOYSA-N
XLogP2.83
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
4-Phenyl-1-[(1-phenyltriazol-4-yl)methyl]piperidine
CID 44419066
1-[4-[(S)-(benzylamino)-cyclohexylmethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 69925414
1-[4-[(1S)-1-(benzylamino)-1-cyclohexylethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 71452494
1-Benzyl-4-hexyl-triazole
CID 54772019
1-Benzyl-4-cyclohexyl-1 h-1,2,3-triazole
CID 54772021
4-(1-methyl-1H-1,2,3-triazol-4-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271593
N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine
CID 132579938
(2R)-4-(4-methyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147962139
1-Benzyl-4-(4-benzyl-1H-1,2,3-triazol-1-yl)piperidine
CID 155510683
trans-(1R,2S)-2-(3,4-difluorophenyl)-N-[(1-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 164612822

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine (CID 46994406) is N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine is CNCc1cn(C2CCN(CCC(C)c3ccccc3)CC2)nn1.
What is the InChIKey of N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine?
The InChIKey is FLNHAGQQQWTXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-16(17-6-4-3-5-7-17)8-11-23-12-9-19(10-13-23)24-15-18(14-20-2)21-22-24/h3-7,15-16,19-20H,8-14H2,1-2H3.
What are the key properties of N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine?
N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine has a molecular weight of 327.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(3-phenylbutyl)piperidin-4-yl]triazol-4-yl]methanamine is sourced from PubChem (CID 46994406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).