4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine

C16H25N3 — CID 70759625

IUPAC4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESc1cc(N2CCC(CN3CCCCC3)CC2)ccn1
InChIInChI=1S/C16H25N3/c1-2-10-18(11-3-1)14-15-6-12-19(13-7-15)16-4-8-17-9-5-16/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyHKEYTJALMVHTNE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.78
Rot. Bonds3

About 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine

4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 70759625) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID70759625
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESc1cc(N2CCC(CN3CCCCC3)CC2)ccn1
InChIInChI=1S/C16H25N3/c1-2-10-18(11-3-1)14-15-6-12-19(13-7-15)16-4-8-17-9-5-16/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyHKEYTJALMVHTNE-UHFFFAOYSA-N
XLogP2.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70748577
4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
4-pyrrolidin-1-ylpyridine
CID 158456628
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 177134591
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
1-pyridin-4-ylpiperidine-4-thiol
CID 153166689
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
2-methoxy-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
CID 75422614
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728

Frequently Asked Questions

What is the IUPAC name of 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine (CID 70759625) is 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine is c1cc(N2CCC(CN3CCCCC3)CC2)ccn1.
What is the InChIKey of 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is HKEYTJALMVHTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-10-18(11-3-1)14-15-6-12-19(13-7-15)16-4-8-17-9-5-16/h4-5,8-9,15H,1-3,6-7,10-14H2.
What are the key properties of 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 259.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 70759625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).