piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate

C27H34F2N4O2 — CID 130453608

IUPACpiperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCC(F)(CNC2CC2c2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C27H34F2N4O2/c28-22-4-1-20(2-5-22)24-6-3-21(16-31-24)23-15-25(23)32-18-27(29)9-13-33(14-10-27)26(34)35-17-19-7-11-30-12-8-19/h1-6,16,19,23,25,30,32H,7-15,17-18H2
InChIKeyXKPJZXHSYNKTTO-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.27
Rot. Bonds7

About piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate

piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 130453608) has the molecular formula C27H34F2N4O2 and a molecular weight of 484.59 g/mol. Its IUPAC name is piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate
PubChem CID130453608
Molecular FormulaC27H34F2N4O2
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC Namepiperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCC(F)(CNC2CC2c2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C27H34F2N4O2/c28-22-4-1-20(2-5-22)24-6-3-21(16-31-24)23-15-25(23)32-18-27(29)9-13-33(14-10-27)26(34)35-17-19-7-11-30-12-8-19/h1-6,16,19,23,25,30,32H,7-15,17-18H2
InChIKeyXKPJZXHSYNKTTO-UHFFFAOYSA-N
XLogP4.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate (CID 130453608) is piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate is O=C(OCC1CCNCC1)N1CCC(F)(CNC2CC2c2ccc(-c3ccc(F)cc3)nc2)CC1.
What is the InChIKey of piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is XKPJZXHSYNKTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N4O2/c28-22-4-1-20(2-5-22)24-6-3-21(16-31-24)23-15-25(23)32-18-27(29)9-13-33(14-10-27)26(34)35-17-19-7-11-30-12-8-19/h1-6,16,19,23,25,30,32H,7-15,17-18H2.
What are the key properties of piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate?
piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 484.59 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 130453608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).