(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine

C18H34F2N2 — CID 176796984

IUPAC(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
SMILESCC(C)CCN1CC[C@@H](N2CCC(C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C18H34F2N2/c1-14(2)5-9-21-10-8-17(18(19,20)13-21)22-11-6-16(7-12-22)15(3)4/h14-17H,5-13H2,1-4H3/t17-/m1/s1
InChIKeySKZCCBAJXNKMRY-QGZVFWFLSA-N
MW316.48 g/mol
LogP4.11
Rot. Bonds5

About (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine

(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine (PubChem CID 176796984) has the molecular formula C18H34F2N2 and a molecular weight of 316.48 g/mol. Its IUPAC name is (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
PubChem CID176796984
Molecular FormulaC18H34F2N2
Molecular Weight316.48 g/mol
Exact Mass316.27
IUPAC Name(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
SMILESCC(C)CCN1CC[C@@H](N2CCC(C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C18H34F2N2/c1-14(2)5-9-21-10-8-17(18(19,20)13-21)22-11-6-16(7-12-22)15(3)4/h14-17H,5-13H2,1-4H3/t17-/m1/s1
InChIKeySKZCCBAJXNKMRY-QGZVFWFLSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177134647
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
CID 170397196
1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine
CID 177062240
1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine
CID 176558852
[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796831
1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazin-1-yl]-2-methylbutan-1-one
CID 176559863
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine
CID 58395354
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The IUPAC name of (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine (CID 176796984) is (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine.
What is the SMILES notation for (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The canonical SMILES for (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine is CC(C)CCN1CC[C@@H](N2CCC(C(C)C)CC2)C(F)(F)C1.
What is the InChIKey of (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The InChIKey is SKZCCBAJXNKMRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H34F2N2/c1-14(2)5-9-21-10-8-17(18(19,20)13-21)22-11-6-16(7-12-22)15(3)4/h14-17H,5-13H2,1-4H3/t17-/m1/s1.
What are the key properties of (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine has a molecular weight of 316.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine is sourced from PubChem (CID 176796984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).