1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine

C16H31N3 — CID 63259095

IUPAC1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
SMILESC1CCN(CCN2CCC(C3CCCN3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-2-9-18(10-3-1)13-14-19-11-6-15(7-12-19)16-5-4-8-17-16/h15-17H,1-14H2
InChIKeyUAFAUDSQLVGGJZ-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.94
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine

1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 63259095) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID63259095
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
SMILESC1CCN(CCN2CCC(C3CCCN3)CC2)CC1
InChIInChI=1S/C16H31N3/c1-2-9-18(10-3-1)13-14-19-11-6-15(7-12-19)16-5-4-8-17-16/h15-17H,1-14H2
InChIKeyUAFAUDSQLVGGJZ-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine
CID 63259701
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
1-decyl-4-pyrrolidin-2-ylpiperidine
CID 63404665
1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 55169547
1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
CID 106727944
1-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 65213918
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
1-[2-(4-chlorophenoxy)ethyl]-4-pyrrolidin-2-ylpiperidine
CID 63259525
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120835043

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine (CID 63259095) is 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine is C1CCN(CCN2CCC(C3CCCN3)CC2)CC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is UAFAUDSQLVGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-9-18(10-3-1)13-14-19-11-6-15(7-12-19)16-5-4-8-17-16/h15-17H,1-14H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 265.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63259095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).