1-butan-2-yl-4-(difluoromethyl)piperidine

C10H19F2N — CID 127988916

IUPAC1-butan-2-yl-4-(difluoromethyl)piperidine
SMILESCCC(C)N1CCC(C(F)F)CC1
InChIInChI=1S/C10H19F2N/c1-3-8(2)13-6-4-9(5-7-13)10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyBEDXHZOOIVLETN-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds3

About 1-butan-2-yl-4-(difluoromethyl)piperidine

1-butan-2-yl-4-(difluoromethyl)piperidine (PubChem CID 127988916) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-butan-2-yl-4-(difluoromethyl)piperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-(difluoromethyl)piperidine
PubChem CID127988916
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-butan-2-yl-4-(difluoromethyl)piperidine
SMILESCCC(C)N1CCC(C(F)F)CC1
InChIInChI=1S/C10H19F2N/c1-3-8(2)13-6-4-9(5-7-13)10(11)12/h8-10H,3-7H2,1-2H3
InChIKeyBEDXHZOOIVLETN-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
1-butan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 170586069
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-butan-2-yl-4-methylsulfonylpiperidine
CID 121183044
3-bromo-1-butan-2-ylpyrrolidine
CID 80675941
1-butan-2-yl-3-chloropyrrolidine
CID 79445434
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083
N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide
CID 130440772
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
1-butan-2-yl-N,N-dimethylpiperidine-4-carboxamide
CID 154662665
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(difluoromethyl)piperidine?
The IUPAC name of 1-butan-2-yl-4-(difluoromethyl)piperidine (CID 127988916) is 1-butan-2-yl-4-(difluoromethyl)piperidine.
What is the SMILES notation for 1-butan-2-yl-4-(difluoromethyl)piperidine?
The canonical SMILES for 1-butan-2-yl-4-(difluoromethyl)piperidine is CCC(C)N1CCC(C(F)F)CC1.
What is the InChIKey of 1-butan-2-yl-4-(difluoromethyl)piperidine?
The InChIKey is BEDXHZOOIVLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-3-8(2)13-6-4-9(5-7-13)10(11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(difluoromethyl)piperidine?
1-butan-2-yl-4-(difluoromethyl)piperidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(difluoromethyl)piperidine is sourced from PubChem (CID 127988916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).