1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine

C19H28N2 — CID 79972574

IUPAC1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESc1cc(CN2CCCCC2C2CCCN2)cc(C2CC2)c1
InChIInChI=1S/C19H28N2/c1-2-12-21(19(8-1)18-7-4-11-20-18)14-15-5-3-6-17(13-15)16-9-10-16/h3,5-6,13,16,18-20H,1-2,4,7-12,14H2
InChIKeyAOYJFVVFFWCSKP-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.67
Rot. Bonds4

About 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 79972574) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID79972574
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESc1cc(CN2CCCCC2C2CCCN2)cc(C2CC2)c1
InChIInChI=1S/C19H28N2/c1-2-12-21(19(8-1)18-7-4-11-20-18)14-15-5-3-6-17(13-15)16-9-10-16/h3,5-6,13,16,18-20H,1-2,4,7-12,14H2
InChIKeyAOYJFVVFFWCSKP-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
(3aR,8aR)-4-[(3-chlorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143434
(3aR,8aR)-4-[(3-fluorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143551
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256226
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
(3aR,8aR)-4-benzyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine;ethane;molecular hydrogen
CID 178143543
1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256920
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273875
2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 79240835
4-benzyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline;pyrrolidine
CID 144745554

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 79972574) is 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine is c1cc(CN2CCCCC2C2CCCN2)cc(C2CC2)c1.
What is the InChIKey of 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is AOYJFVVFFWCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-12-21(19(8-1)18-7-4-11-20-18)14-15-5-3-6-17(13-15)16-9-10-16/h3,5-6,13,16,18-20H,1-2,4,7-12,14H2.
What are the key properties of 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 284.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 79972574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).