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

C27H35FN4O2 — CID 130453565

IUPACpiperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCC(F)(CNC2CC2c2ccc(-c3ccccc3)nc2)CC1
InChIInChI=1S/C27H35FN4O2/c28-27(10-14-32(15-11-27)26(33)34-18-20-8-12-29-13-9-20)19-31-25-16-23(25)22-6-7-24(30-17-22)21-4-2-1-3-5-21/h1-7,17,20,23,25,29,31H,8-16,18-19H2
InChIKeyXFVDGDFJWNNXGS-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.13
Rot. Bonds7

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

piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 130453565) has the molecular formula C27H35FN4O2 and a molecular weight of 466.60 g/mol. Its IUPAC name is piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate
PubChem CID130453565
Molecular FormulaC27H35FN4O2
Molecular Weight466.60 g/mol
Exact Mass466.27
IUPAC Namepiperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCC(F)(CNC2CC2c2ccc(-c3ccccc3)nc2)CC1
InChIInChI=1S/C27H35FN4O2/c28-27(10-14-32(15-11-27)26(33)34-18-20-8-12-29-13-9-20)19-31-25-16-23(25)22-6-7-24(30-17-22)21-4-2-1-3-5-21/h1-7,17,20,23,25,29,31H,8-16,18-19H2
InChIKeyXFVDGDFJWNNXGS-UHFFFAOYSA-N
XLogP4.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.13
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-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate (CID 130453565) is piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate is O=C(OCC1CCNCC1)N1CCC(F)(CNC2CC2c2ccc(-c3ccccc3)nc2)CC1.
What is the InChIKey of piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is XFVDGDFJWNNXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2/c28-27(10-14-32(15-11-27)26(33)34-18-20-8-12-29-13-9-20)19-31-25-16-23(25)22-6-7-24(30-17-22)21-4-2-1-3-5-21/h1-7,17,20,23,25,29,31H,8-16,18-19H2.
What are the key properties of piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate?
piperidin-4-ylmethyl 4-fluoro-4-[[[2-(6-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 466.60 g/mol, XLogP of 4.13, 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-phenyl-3-pyridinyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 130453565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).