[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone

C19H28FN3O — CID 119518177

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O/c1-14(21)16-8-11-22(12-9-16)19(24)18-3-2-10-23(18)13-15-4-6-17(20)7-5-15/h4-7,14,16,18H,2-3,8-13,21H2,1H3
InChIKeyVBWUZUAGZQMSNQ-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.38
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone (PubChem CID 119518177) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
PubChem CID119518177
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O/c1-14(21)16-8-11-22(12-9-16)19(24)18-3-2-10-23(18)13-15-4-6-17(20)7-5-15/h4-7,14,16,18H,2-3,8-13,21H2,1H3
InChIKeyVBWUZUAGZQMSNQ-UHFFFAOYSA-N
XLogP2.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 124779272
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119636461
(3R)-1-[(2R)-1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778435
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612785
2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 154740345
[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175122
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpiperidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022869

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone (CID 119518177) is [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone is CC(N)C1CCN(C(=O)C2CCCN2Cc2ccc(F)cc2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
The InChIKey is VBWUZUAGZQMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-14(21)16-8-11-22(12-9-16)19(24)18-3-2-10-23(18)13-15-4-6-17(20)7-5-15/h4-7,14,16,18H,2-3,8-13,21H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone has a molecular weight of 333.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 119518177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).