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

C15H22ClFN2 — CID 102616382

IUPACN-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H22ClFN2/c1-2-18-9-12-4-3-7-19(10-12)11-13-8-14(17)5-6-15(13)16/h5-6,8,12,18H,2-4,7,9-11H2,1H3
InChIKeyQVTIGZODLAUIJQ-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.30
Rot. Bonds5

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

N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 102616382) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID102616382
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C15H22ClFN2/c1-2-18-9-12-4-3-7-19(10-12)11-13-8-14(17)5-6-15(13)16/h5-6,8,12,18H,2-4,7,9-11H2,1H3
InChIKeyQVTIGZODLAUIJQ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813889
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592371
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870
methyl (3S)-1-[(2-chloro-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 102609431
N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54794583
N-[[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581504
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine (CID 102616382) is N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is QVTIGZODLAUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-18-9-12-4-3-7-19(10-12)11-13-8-14(17)5-6-15(13)16/h5-6,8,12,18H,2-4,7,9-11H2,1H3.
What are the key properties of N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 102616382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).