(3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane

C18H34F2N2O — CID 177247608

IUPAC(3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane
SMILESCC(C)C.CC(C)N1CCC(C(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H24F2N2O.C4H10/c1-11(2)17-8-4-12(5-9-17)13(19)18-7-3-6-14(15,16)10-18;1-4(2)3/h11-12H,3-10H2,1-2H3;4H,1-3H3
InChIKeyMBSSNILGAGIIHN-UHFFFAOYSA-N
MW332.48 g/mol
LogP4.03
Rot. Bonds2

About (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane

(3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane (PubChem CID 177247608) has the molecular formula C18H34F2N2O and a molecular weight of 332.48 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane
PubChem CID177247608
Molecular FormulaC18H34F2N2O
Molecular Weight332.48 g/mol
Exact Mass332.26
IUPAC Name(3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane
SMILESCC(C)C.CC(C)N1CCC(C(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H24F2N2O.C4H10/c1-11(2)17-8-4-12(5-9-17)13(19)18-7-3-6-14(15,16)10-18;1-4(2)3/h11-12H,3-10H2,1-2H3;4H,1-3H3
InChIKeyMBSSNILGAGIIHN-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 97520888
N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 97406503
1-[1-(cyclobutylmethyl)piperidin-4-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 97406505
1-(1-ethylpiperidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 97520889
N,N-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 97520890
2,2,3,3-Tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
CID 2933321
N-[(1-cyclopentyl-3-piperidinyl)methyl]-4,4,4-trifluoro-N-[2-(1-piperidinyl)ethyl]butanamide
CID 45227748
1-Methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
CID 128926278
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane (CID 177247608) is (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane is CC(C)C.CC(C)N1CCC(C(=O)N2CCCC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane?
The InChIKey is MBSSNILGAGIIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O.C4H10/c1-11(2)17-8-4-12(5-9-17)13(19)18-7-3-6-14(15,16)10-18;1-4(2)3/h11-12H,3-10H2,1-2H3;4H,1-3H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane?
(3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane has a molecular weight of 332.48 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;2-methylpropane is sourced from PubChem (CID 177247608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).