N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine

C19H29ClFN3 — CID 153338431

IUPACN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C19H29ClFN3/c1-24-10-7-17(8-11-24)22-9-6-14-2-4-15(5-3-14)19-18(20)12-16(21)13-23-19/h12-15,17,22H,2-11H2,1H3
InChIKeyYNLCNXDWUYFYKC-UHFFFAOYSA-N
MW353.91 g/mol
LogP4.22
Rot. Bonds5

About N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine (PubChem CID 153338431) has the molecular formula C19H29ClFN3 and a molecular weight of 353.91 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
PubChem CID153338431
Molecular FormulaC19H29ClFN3
Molecular Weight353.91 g/mol
Exact Mass353.20
IUPAC NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C19H29ClFN3/c1-24-10-7-17(8-11-24)22-9-6-14-2-4-15(5-3-14)19-18(20)12-16(21)13-23-19/h12-15,17,22H,2-11H2,1H3
InChIKeyYNLCNXDWUYFYKC-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
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]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine (CID 153338431) is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine is CN1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1.
What is the InChIKey of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
The InChIKey is YNLCNXDWUYFYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClFN3/c1-24-10-7-17(8-11-24)22-9-6-14-2-4-15(5-3-14)19-18(20)12-16(21)13-23-19/h12-15,17,22H,2-11H2,1H3.
What are the key properties of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine?
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine has a molecular weight of 353.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 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]-1-methylpiperidin-4-amine is sourced from PubChem (CID 153338431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).