N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine

C18H27ClFN3 — CID 175832729

IUPACN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine
SMILESFc1cnc(C2CCC(CCNC3CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C18H27ClFN3/c19-17-11-15(20)12-23-18(17)14-3-1-13(2-4-14)5-10-22-16-6-8-21-9-7-16/h11-14,16,21-22H,1-10H2
InChIKeyDDHDMSXHJFSVPU-UHFFFAOYSA-N
MW339.89 g/mol
LogP3.88
Rot. Bonds5

About N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine (PubChem CID 175832729) has the molecular formula C18H27ClFN3 and a molecular weight of 339.89 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine
PubChem CID175832729
Molecular FormulaC18H27ClFN3
Molecular Weight339.89 g/mol
Exact Mass339.19
IUPAC NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine
SMILESFc1cnc(C2CCC(CCNC3CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C18H27ClFN3/c19-17-11-15(20)12-23-18(17)14-3-1-13(2-4-14)5-10-22-16-6-8-21-9-7-16/h11-14,16,21-22H,1-10H2
InChIKeyDDHDMSXHJFSVPU-UHFFFAOYSA-N
XLogP3.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine?
The IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine (CID 175832729) is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine is Fc1cnc(C2CCC(CCNC3CCNCC3)CC2)c(Cl)c1.
What is the InChIKey of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine?
The InChIKey is DDHDMSXHJFSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN3/c19-17-11-15(20)12-23-18(17)14-3-1-13(2-4-14)5-10-22-16-6-8-21-9-7-16/h11-14,16,21-22H,1-10H2.
What are the key properties of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine?
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine has a molecular weight of 339.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 175832729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).