(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate

C23H34FN3O2 — CID 137422455

IUPAC(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESCN1CCC(COC(=O)N2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C23H34FN3O2/c1-26-11-7-18(8-12-26)16-29-22(28)27-13-9-23(24,10-14-27)17-25-21-15-20(21)19-5-3-2-4-6-19/h2-6,18,20-21,25H,7-17H2,1H3/t20-,21+/m0/s1
InChIKeyVPOORPKKPPIUBJ-LEWJYISDSA-N
MW403.54 g/mol
LogP3.41
Rot. Bonds6

About (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate

(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 137422455) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
PubChem CID137422455
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESCN1CCC(COC(=O)N2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C23H34FN3O2/c1-26-11-7-18(8-12-26)16-29-22(28)27-13-9-23(24,10-14-27)17-25-21-15-20(21)19-5-3-2-4-6-19/h2-6,18,20-21,25H,7-17H2,1H3/t20-,21+/m0/s1
InChIKeyVPOORPKKPPIUBJ-LEWJYISDSA-N
XLogP3.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500
4-[[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carbonyl]oxymethyl]benzoic acid
CID 130453400
(4-fluorophenyl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 130453404
furan-2-ylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 137422499
1-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 130453521
benzyl 4-[[[(1R,2S)-2-(2-acetylphenyl)cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 142749612
piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 130453558
piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 130453609
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
benzyl 4-[[[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 130453631
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate (CID 137422455) is (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate is CN1CCC(COC(=O)N2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is VPOORPKKPPIUBJ-LEWJYISDSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-26-11-7-18(8-12-26)16-29-22(28)27-13-9-23(24,10-14-27)17-25-21-15-20(21)19-5-3-2-4-6-19/h2-6,18,20-21,25H,7-17H2,1H3/t20-,21+/m0/s1.
What are the key properties of (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 403.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137422455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).