1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine

C18H28FN3 — CID 125447400

IUPAC1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H28FN3/c1-2-21-10-8-17(9-11-21)20-13-15-7-12-22(14-15)18-5-3-16(19)4-6-18/h3-6,15,17,20H,2,7-14H2,1H3/t15-/m1/s1
InChIKeyUUOPSDMXHATCIM-OAHLLOKOSA-N
MW305.44 g/mol
LogP2.73
Rot. Bonds5

About 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine

1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine (PubChem CID 125447400) has the molecular formula C18H28FN3 and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
PubChem CID125447400
Molecular FormulaC18H28FN3
Molecular Weight305.44 g/mol
Exact Mass305.23
IUPAC Name1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H28FN3/c1-2-21-10-8-17(9-11-21)20-13-15-7-12-22(14-15)18-5-3-16(19)4-6-18/h3-6,15,17,20H,2,7-14H2,1H3/t15-/m1/s1
InChIKeyUUOPSDMXHATCIM-OAHLLOKOSA-N
XLogP2.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51093269
ethyl 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]piperidine-1-carboxylate
CID 71921314
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 60856023
N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081197
N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513515
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methylbutan-1-amine
CID 83467641
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 52537970
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081383
2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004659
1-(1-benzylpiperidin-4-yl)-3-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 95144958
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine (CID 125447400) is 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine is CCN1CCC(NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
The InChIKey is UUOPSDMXHATCIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28FN3/c1-2-21-10-8-17(9-11-21)20-13-15-7-12-22(14-15)18-5-3-16(19)4-6-18/h3-6,15,17,20H,2,7-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine has a molecular weight of 305.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 125447400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).