[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone

C19H25FN2O — CID 171343910

IUPAC[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)N1CCC(F)CC1
InChIInChI=1S/C19H25FN2O/c20-16-7-9-22(10-8-16)19(23)15-5-3-14(4-6-15)17-11-18(17)21-12-13-1-2-13/h3-6,13,16-18,21H,1-2,7-12H2/t17-,18+/m0/s1
InChIKeyJELFJCHCBUKLFJ-ZWKOTPCHSA-N
MW316.42 g/mol
LogP3.12
Rot. Bonds5

About [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone

[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 171343910) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID171343910
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)N1CCC(F)CC1
InChIInChI=1S/C19H25FN2O/c20-16-7-9-22(10-8-16)19(23)15-5-3-14(4-6-15)17-11-18(17)21-12-13-1-2-13/h3-6,13,16-18,21H,1-2,7-12H2/t17-,18+/m0/s1
InChIKeyJELFJCHCBUKLFJ-ZWKOTPCHSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone with MolForge

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Related Compounds

4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
[3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 118304880
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118304046
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 158404708
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566

Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone (CID 171343910) is [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone is O=C(c1ccc([C@@H]2C[C@H]2NCC2CC2)cc1)N1CCC(F)CC1.
What is the InChIKey of [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is JELFJCHCBUKLFJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-16-7-9-22(10-8-16)19(23)15-5-3-14(4-6-15)17-11-18(17)21-12-13-1-2-13/h3-6,13,16-18,21H,1-2,7-12H2/t17-,18+/m0/s1.
What are the key properties of [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone?
[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 316.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 171343910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).