1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine

C14H26F2N2 — CID 122545506

IUPAC1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine
SMILESCC[C@H]1CCCN(CCN2CCCC(F)(F)C2)C1
InChIInChI=1S/C14H26F2N2/c1-2-13-5-3-7-17(11-13)9-10-18-8-4-6-14(15,16)12-18/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyANOIXMQKIZYWPL-ZDUSSCGKSA-N
MW260.37 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine

1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine (PubChem CID 122545506) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine
PubChem CID122545506
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine
SMILESCC[C@H]1CCCN(CCN2CCCC(F)(F)C2)C1
InChIInChI=1S/C14H26F2N2/c1-2-13-5-3-7-17(11-13)9-10-18-8-4-6-14(15,16)12-18/h13H,2-12H2,1H3/t13-/m0/s1
InChIKeyANOIXMQKIZYWPL-ZDUSSCGKSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine?
The IUPAC name of 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine (CID 122545506) is 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine.
What is the SMILES notation for 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine?
The canonical SMILES for 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine is CC[C@H]1CCCN(CCN2CCCC(F)(F)C2)C1.
What is the InChIKey of 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine?
The InChIKey is ANOIXMQKIZYWPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-2-13-5-3-7-17(11-13)9-10-18-8-4-6-14(15,16)12-18/h13H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine?
1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine has a molecular weight of 260.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-ethylpiperidin-1-yl]ethyl]-3,3-difluoropiperidine is sourced from PubChem (CID 122545506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).