1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine

C17H22F6N2 — CID 11538686

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine
SMILESCCCCC1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1N
InChIInChI=1S/C17H22F6N2/c1-2-3-4-11-10-25(6-5-15(11)24)14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-9,11,15H,2-6,10,24H2,1H3
InChIKeyOTPNVPYDTCYPTA-UHFFFAOYSA-N
MW368.37 g/mol
LogP5.07
Rot. Bonds4

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine

1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine (PubChem CID 11538686) has the molecular formula C17H22F6N2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine
PubChem CID11538686
Molecular FormulaC17H22F6N2
Molecular Weight368.37 g/mol
Exact Mass368.17
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine
SMILESCCCCC1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1N
InChIInChI=1S/C17H22F6N2/c1-2-3-4-11-10-25(6-5-15(11)24)14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-9,11,15H,2-6,10,24H2,1H3
InChIKeyOTPNVPYDTCYPTA-UHFFFAOYSA-N
XLogP5.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine (CID 11538686) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine is CCCCC1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1N.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine?
The InChIKey is OTPNVPYDTCYPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6N2/c1-2-3-4-11-10-25(6-5-15(11)24)14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-9,11,15H,2-6,10,24H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine?
1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine has a molecular weight of 368.37 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylpiperidin-4-amine is sourced from PubChem (CID 11538686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).