N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine

C17H24ClFN2 — CID 91646975

IUPACN-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine
SMILESFc1cccc(Cl)c1CCNC1CCN(CC2CC2)CC1
InChIInChI=1S/C17H24ClFN2/c18-16-2-1-3-17(19)15(16)6-9-20-14-7-10-21(11-8-14)12-13-4-5-13/h1-3,13-14,20H,4-12H2
InChIKeyLUTWDLGNGUXCBA-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine

N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 91646975) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine
PubChem CID91646975
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine
SMILESFc1cccc(Cl)c1CCNC1CCN(CC2CC2)CC1
InChIInChI=1S/C17H24ClFN2/c18-16-2-1-3-17(19)15(16)6-9-20-14-7-10-21(11-8-14)12-13-4-5-13/h1-3,13-14,20H,4-12H2
InChIKeyLUTWDLGNGUXCBA-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine (CID 91646975) is N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine is Fc1cccc(Cl)c1CCNC1CCN(CC2CC2)CC1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is LUTWDLGNGUXCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c18-16-2-1-3-17(19)15(16)6-9-20-14-7-10-21(11-8-14)12-13-4-5-13/h1-3,13-14,20H,4-12H2.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine?
N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 310.84 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 91646975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).