1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

C14H21Cl2FN2 — CID 120966307

IUPAC1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(Cc2cc(F)ccc2Cl)C1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-10(17)11-3-2-6-18(8-11)9-12-7-13(16)4-5-14(12)15;/h4-5,7,10-11H,2-3,6,8-9,17H2,1H3;1H
InChIKeyDXRJXQGHLZSQDO-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.46
Rot. Bonds3

About 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120966307) has the molecular formula C14H21Cl2FN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120966307
Molecular FormulaC14H21Cl2FN2
Molecular Weight307.24 g/mol
Exact Mass306.11
IUPAC Name1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(Cc2cc(F)ccc2Cl)C1.Cl
InChIInChI=1S/C14H20ClFN2.ClH/c1-10(17)11-3-2-6-18(8-11)9-12-7-13(16)4-5-14(12)15;/h4-5,7,10-11H,2-3,6,8-9,17H2,1H3;1H
InChIKeyDXRJXQGHLZSQDO-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120840968
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
methyl (3S)-1-[(2-chloro-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 102609431
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120966307) is 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(Cc2cc(F)ccc2Cl)C1.Cl.
What is the InChIKey of 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is DXRJXQGHLZSQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2.ClH/c1-10(17)11-3-2-6-18(8-11)9-12-7-13(16)4-5-14(12)15;/h4-5,7,10-11H,2-3,6,8-9,17H2,1H3;1H.
What are the key properties of 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 307.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120966307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).