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

C21H30FN3O2 — CID 130453454

IUPACpiperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OC1CCNCC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C21H30FN3O2/c22-21(15-24-19-14-18(19)16-4-2-1-3-5-16)8-12-25(13-9-21)20(26)27-17-6-10-23-11-7-17/h1-5,17-19,23-24H,6-15H2
InChIKeyAODZWOBXFLDGQH-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.82
Rot. Bonds5

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

piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 130453454) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepiperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
PubChem CID130453454
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Namepiperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OC1CCNCC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C21H30FN3O2/c22-21(15-24-19-14-18(19)16-4-2-1-3-5-16)8-12-25(13-9-21)20(26)27-17-6-10-23-11-7-17/h1-5,17-19,23-24H,6-15H2
InChIKeyAODZWOBXFLDGQH-UHFFFAOYSA-N
XLogP2.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
(1-Benzylpiperidin-4-yl)methyl 4-fluoro-4-(((trans-2-phenyl-cyclopropyl)amino)methyl) piperidine-1-carboxylate
CID 130453424
(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
Methyl 3-(4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidin-1-yl)-propionate
CID 130453520
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
US9670210, Example 113 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(4-methoxypiperidin-1-yl)carbonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302789
US10233152, Example 48
CID 129279622
US10233152, Example 161
CID 129279644

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (CID 130453454) is piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is O=C(OC1CCNCC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is AODZWOBXFLDGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-21(15-24-19-14-18(19)16-4-2-1-3-5-16)8-12-25(13-9-21)20(26)27-17-6-10-23-11-7-17/h1-5,17-19,23-24H,6-15H2.
What are the key properties of piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 375.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 130453454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).