ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine

C16H27N3 — CID 143719277

IUPACethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
SMILESCC.c1ccc(N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C14H21N3.C2H6/c1-2-8-15-14(5-1)17-11-6-13(7-12-17)16-9-3-4-10-16;1-2/h1-2,5,8,13H,3-4,6-7,9-12H2;1-2H3
InChIKeyDKEHENOGRJLKEP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.17
Rot. Bonds2

About ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine

ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine (PubChem CID 143719277) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Nameethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
PubChem CID143719277
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Nameethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
SMILESCC.c1ccc(N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C14H21N3.C2H6/c1-2-8-15-14(5-1)17-11-6-13(7-12-17)16-9-3-4-10-16;1-2/h1-2,5,8,13H,3-4,6-7,9-12H2;1-2H3
InChIKeyDKEHENOGRJLKEP-UHFFFAOYSA-N
XLogP3.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
3-(4-pyridin-2-ylpiperazin-1-yl)azepane
CID 62642071
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399
2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 63587650
2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
The IUPAC name of ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine (CID 143719277) is ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
The canonical SMILES for ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine is CC.c1ccc(N2CCC(N3CCCC3)CC2)nc1.
What is the InChIKey of ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
The InChIKey is DKEHENOGRJLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.C2H6/c1-2-8-15-14(5-1)17-11-6-13(7-12-17)16-9-3-4-10-16;1-2/h1-2,5,8,13H,3-4,6-7,9-12H2;1-2H3.
What are the key properties of ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine has a molecular weight of 261.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 143719277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).