1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine

C12H21F3N2 — CID 114158653

IUPAC1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
SMILESCCCN1CCC(NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H21F3N2/c1-2-7-17-8-3-10(4-9-17)16-11(5-6-11)12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyMNTMZIVEMXZRQM-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.55
Rot. Bonds4

About 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine

1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine (PubChem CID 114158653) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
PubChem CID114158653
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
SMILESCCCN1CCC(NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H21F3N2/c1-2-7-17-8-3-10(4-9-17)16-11(5-6-11)12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyMNTMZIVEMXZRQM-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine (CID 114158653) is 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine is CCCN1CCC(NC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
The InChIKey is MNTMZIVEMXZRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-2-7-17-8-3-10(4-9-17)16-11(5-6-11)12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine?
1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine is sourced from PubChem (CID 114158653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).