4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C19H28N6 — CID 95874854

IUPAC4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C19H28N6/c1-23-18(15-24-11-3-2-4-12-24)21-22-19(23)16-6-5-13-25(14-16)17-7-9-20-10-8-17/h7-10,16H,2-6,11-15H2,1H3/t16-/m1/s1
InChIKeyINXDKACUEVNVDU-MRXNPFEDSA-N
MW340.47 g/mol
LogP2.58
Rot. Bonds4

About 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 95874854) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID95874854
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C19H28N6/c1-23-18(15-24-11-3-2-4-12-24)21-22-19(23)16-6-5-13-25(14-16)17-7-9-20-10-8-17/h7-10,16H,2-6,11-15H2,1H3/t16-/m1/s1
InChIKeyINXDKACUEVNVDU-MRXNPFEDSA-N
XLogP2.58
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-methyl-5-(1-pyridin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70717146
2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95867068
2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
CID 95868132
1-ethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70786765
2-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95895687
1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95870699
5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95873641
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
(3R)-1-[(4-methylphenyl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95874323
(3S)-1-[(4-chlorophenyl)methyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95867076
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 70727688

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 95874854) is 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccncc2)C1.
What is the InChIKey of 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is INXDKACUEVNVDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N6/c1-23-18(15-24-11-3-2-4-12-24)21-22-19(23)16-6-5-13-25(14-16)17-7-9-20-10-8-17/h7-10,16H,2-6,11-15H2,1H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 340.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 95874854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).