(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C19H29N3O — CID 119546904

IUPAC(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-20-14-16-9-12-21(13-10-16)19(23)18-8-5-11-22(18)15-17-6-3-2-4-7-17/h2-4,6-7,16,18,20H,5,8-15H2,1H3
InChIKeyGYFCMPUHDNHJSF-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.11
Rot. Bonds5

About (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119546904) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119546904
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-20-14-16-9-12-21(13-10-16)19(23)18-8-5-11-22(18)15-17-6-3-2-4-7-17/h2-4,6-7,16,18,20H,5,8-15H2,1H3
InChIKeyGYFCMPUHDNHJSF-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612785
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119546904) is (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)C2CCCN2Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is GYFCMPUHDNHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-20-14-16-9-12-21(13-10-16)19(23)18-8-5-11-22(18)15-17-6-3-2-4-7-17/h2-4,6-7,16,18,20H,5,8-15H2,1H3.
What are the key properties of (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119546904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).