1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine

C16H26N4 — CID 66142457

IUPAC1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESc1ncn(C2CC2)c1CN1CCCCC1C1CCCN1
InChIInChI=1S/C16H26N4/c1-2-9-19(16(5-1)15-4-3-8-18-15)11-14-10-17-12-20(14)13-6-7-13/h10,12-13,15-16,18H,1-9,11H2
InChIKeyPXILTZNXQFYJOZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.32
Rot. Bonds4

About 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 66142457) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID66142457
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESc1ncn(C2CC2)c1CN1CCCCC1C1CCCN1
InChIInChI=1S/C16H26N4/c1-2-9-19(16(5-1)15-4-3-8-18-15)11-14-10-17-12-20(14)13-6-7-13/h10,12-13,15-16,18H,1-9,11H2
InChIKeyPXILTZNXQFYJOZ-UHFFFAOYSA-N
XLogP2.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 66118178
1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256578
1-[(3-cyclopropylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66141272
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 79240835
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 63256393
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 66142457) is 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine is c1ncn(C2CC2)c1CN1CCCCC1C1CCCN1.
What is the InChIKey of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is PXILTZNXQFYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-9-19(16(5-1)15-4-3-8-18-15)11-14-10-17-12-20(14)13-6-7-13/h10,12-13,15-16,18H,1-9,11H2.
What are the key properties of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 274.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 66142457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).