N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine

C14H21F3N2 — CID 135218442

IUPACN,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine
SMILESCC1C=C(N2CCC(N(C)C)CC2)C(C(F)(F)F)=C1
InChIInChI=1S/C14H21F3N2/c1-10-8-12(14(15,16)17)13(9-10)19-6-4-11(5-7-19)18(2)3/h8-11H,4-7H2,1-3H3
InChIKeyWCUYUJPMDQRPHZ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.03
Rot. Bonds2

About N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine

N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine (PubChem CID 135218442) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine
PubChem CID135218442
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine
SMILESCC1C=C(N2CCC(N(C)C)CC2)C(C(F)(F)F)=C1
InChIInChI=1S/C14H21F3N2/c1-10-8-12(14(15,16)17)13(9-10)19-6-4-11(5-7-19)18(2)3/h8-11H,4-7H2,1-3H3
InChIKeyWCUYUJPMDQRPHZ-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine (CID 135218442) is N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine is CC1C=C(N2CCC(N(C)C)CC2)C(C(F)(F)F)=C1.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine?
The InChIKey is WCUYUJPMDQRPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-10-8-12(14(15,16)17)13(9-10)19-6-4-11(5-7-19)18(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine?
N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 135218442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).