5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine

C14H26F2N2 — CID 151244801

IUPAC5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine
SMILESCC1CCC(C(F)(F)CCC2CCNCC2)CN1
InChIInChI=1S/C14H26F2N2/c1-11-2-3-13(10-18-11)14(15,16)7-4-12-5-8-17-9-6-12/h11-13,17-18H,2-10H2,1H3
InChIKeyNRBMFIGJDUZVDU-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.79
Rot. Bonds4

About 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine

5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine (PubChem CID 151244801) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine.

Molecular Properties

Compound Name5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine
PubChem CID151244801
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine
SMILESCC1CCC(C(F)(F)CCC2CCNCC2)CN1
InChIInChI=1S/C14H26F2N2/c1-11-2-3-13(10-18-11)14(15,16)7-4-12-5-8-17-9-6-12/h11-13,17-18H,2-10H2,1H3
InChIKeyNRBMFIGJDUZVDU-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine?
The IUPAC name of 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine (CID 151244801) is 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine.
What is the SMILES notation for 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine?
The canonical SMILES for 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine is CC1CCC(C(F)(F)CCC2CCNCC2)CN1.
What is the InChIKey of 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine?
The InChIKey is NRBMFIGJDUZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-11-2-3-13(10-18-11)14(15,16)7-4-12-5-8-17-9-6-12/h11-13,17-18H,2-10H2,1H3.
What are the key properties of 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine?
5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine has a molecular weight of 260.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-3-piperidin-4-ylpropyl)-2-methylpiperidine is sourced from PubChem (CID 151244801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).