4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine

C15H29FN2 — CID 155034660

IUPAC4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29FN2/c1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyVPMKFQNQDRYPGZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.93
Rot. Bonds4

About 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine

4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine (PubChem CID 155034660) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine
PubChem CID155034660
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29FN2/c1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyVPMKFQNQDRYPGZ-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-N,N,3-trimethyl-4-piperidinamine dihydrochloride
CID 2827012
4-Dimethylamino-1,3-dimethylpiperidine
CID 119028717
3-(Fluoromethyl)-1-propan-2-ylpiperidine
CID 58029480
(3R)-3-(fluoromethyl)-1-propan-2-ylpiperidine
CID 58030275
3-Fluoro-3-methyl-1-propan-2-ylpiperidine
CID 58285126
1-Tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine
CID 58364969
3-fluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
CID 59603419
4-(Azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine
CID 59603510
(3R)-1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580574
(3S)-1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methylpiperidine
CID 68267610
1-Ethyl-4-(3-fluoroazetidin-1-yl)piperidine
CID 68275050
4-(Azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine
CID 68657787

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine (CID 155034660) is 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine is CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is VPMKFQNQDRYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2/c1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine?
4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 256.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 155034660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).