1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine

C14H26F2N2 — CID 83993221

IUPAC1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)C1CC(NCC(F)F)CN(CC2CC2)C1
InChIInChI=1S/C14H26F2N2/c1-10(2)12-5-13(17-6-14(15)16)9-18(8-12)7-11-3-4-11/h10-14,17H,3-9H2,1-2H3
InChIKeySARBDZUIFSOFMD-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.60
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine

1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine (PubChem CID 83993221) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
PubChem CID83993221
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC Name1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)C1CC(NCC(F)F)CN(CC2CC2)C1
InChIInChI=1S/C14H26F2N2/c1-10(2)12-5-13(17-6-14(15)16)9-18(8-12)7-11-3-4-11/h10-14,17H,3-9H2,1-2H3
InChIKeySARBDZUIFSOFMD-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol
CID 134195557
1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83992859
2-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]acetonitrile
CID 83993356
1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992583
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
1-[1-(cyclobutylmethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996736
methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996782
N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83996998

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine (CID 83993221) is 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine is CC(C)C1CC(NCC(F)F)CN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
The InChIKey is SARBDZUIFSOFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-10(2)12-5-13(17-6-14(15)16)9-18(8-12)7-11-3-4-11/h10-14,17H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine has a molecular weight of 260.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83993221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).