4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine

C21H28N4 — CID 59705532

IUPAC4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
SMILESc1cc(C2CCN(CN3CCC(c4ccncc4)CC3)CC2)ccn1
InChIInChI=1S/C21H28N4/c1-9-22-10-2-18(1)20-5-13-24(14-6-20)17-25-15-7-21(8-16-25)19-3-11-23-12-4-19/h1-4,9-12,20-21H,5-8,13-17H2
InChIKeyMTFQPKDKMWQYTE-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.49
Rot. Bonds4

About 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine

4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine (PubChem CID 59705532) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
PubChem CID59705532
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
SMILESc1cc(C2CCN(CN3CCC(c4ccncc4)CC3)CC2)ccn1
InChIInChI=1S/C21H28N4/c1-9-22-10-2-18(1)20-5-13-24(14-6-20)17-25-15-7-21(8-16-25)19-3-11-23-12-4-19/h1-4,9-12,20-21H,5-8,13-17H2
InChIKeyMTFQPKDKMWQYTE-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyridine
CID 18328928
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
(3-pyridin-4-ylpyrrolidin-1-yl)-λ2-stannane
CID 174702002
4-pyridin-4-ylpiperidine-1-carbothioamide
CID 154522101
4-(4-pyridin-4-ylpiperidin-1-yl)aniline
CID 11021416
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 124750043
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
CID 126809932
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine (CID 59705532) is 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine is c1cc(C2CCN(CN3CCC(c4ccncc4)CC3)CC2)ccn1.
What is the InChIKey of 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine?
The InChIKey is MTFQPKDKMWQYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-9-22-10-2-18(1)20-5-13-24(14-6-20)17-25-15-7-21(8-16-25)19-3-11-23-12-4-19/h1-4,9-12,20-21H,5-8,13-17H2.
What are the key properties of 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine?
4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine has a molecular weight of 336.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 59705532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).