(1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate

C29H38FN3O2 — CID 130453424

IUPAC(1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCN(Cc2ccccc2)CC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C29H38FN3O2/c30-29(22-31-27-19-26(27)25-9-5-2-6-10-25)13-17-33(18-14-29)28(34)35-21-24-11-15-32(16-12-24)20-23-7-3-1-4-8-23/h1-10,24,26-27,31H,11-22H2
InChIKeyPDVDOPHOLKQQRU-UHFFFAOYSA-N
MW479.64 g/mol
LogP4.99
Rot. Bonds8

About (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate

(1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 130453424) has the molecular formula C29H38FN3O2 and a molecular weight of 479.64 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
PubChem CID130453424
Molecular FormulaC29H38FN3O2
Molecular Weight479.64 g/mol
Exact Mass479.29
IUPAC Name(1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCN(Cc2ccccc2)CC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C29H38FN3O2/c30-29(22-31-27-19-26(27)25-9-5-2-6-10-25)13-17-33(18-14-29)28(34)35-21-24-11-15-32(16-12-24)20-23-7-3-1-4-8-23/h1-10,24,26-27,31H,11-22H2
InChIKeyPDVDOPHOLKQQRU-UHFFFAOYSA-N
XLogP4.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 130453587
Benzhydryl-carbamic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester
CID 10497101
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzhydrylcarbamate
CID 59591029
ethyl N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 70683581
(1-Methylpiperidin-4-yl)methyl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453447
Azetidin-3-ylmethyl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453452
(1-(Cyclopropylmethyl)piperidin-4-yl)methyl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453453
Piperidin-4-yl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453454
Piperidin-4-ylmethyl 4-fluoro-4-((((1S,2R)-2-phenyl-cyclopropyl)amino)methyl) piperidine-1-carboxylate
CID 130453557
Piperidin-4-ylmethyl-4-fluoro-4-(((trans-2-phenylcyclopropyl)amino) methyl)piperidine-1-carboxylate
CID 130453590
2-(1-Benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate
CID 135374995
1-Benzyl-N-[(4-fluorophenyl)methyl]-2-oxo-octahydro-1H-pyrido[3,4-D][1,3]oxazine-7-carboxamide
CID 124074290

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (CID 130453424) is (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is O=C(OCC1CCN(Cc2ccccc2)CC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is PDVDOPHOLKQQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN3O2/c30-29(22-31-27-19-26(27)25-9-5-2-6-10-25)13-17-33(18-14-29)28(34)35-21-24-11-15-32(16-12-24)20-23-7-3-1-4-8-23/h1-10,24,26-27,31H,11-22H2.
What are the key properties of (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
(1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 479.64 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 130453424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).