N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

C16H26ClFN2 — CID 119928208

IUPACN-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(C(C)c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-3-18-12-14-7-9-19(10-8-14)13(2)15-5-4-6-16(17)11-15;/h4-6,11,13-14,18H,3,7-10,12H2,1-2H3;1H
InChIKeyGBAOQFHTBAARDD-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.63
Rot. Bonds5

About N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119928208) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119928208
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC NameN-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(C(C)c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-3-18-12-14-7-9-19(10-8-14)13(2)15-5-4-6-16(17)11-15;/h4-6,11,13-14,18H,3,7-10,12H2,1-2H3;1H
InChIKeyGBAOQFHTBAARDD-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
CID 81493286
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
N-[[1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550986
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119928208) is N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(C(C)c2cccc(F)c2)CC1.Cl.
What is the InChIKey of N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is GBAOQFHTBAARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2.ClH/c1-3-18-12-14-7-9-19(10-8-14)13(2)15-5-4-6-16(17)11-15;/h4-6,11,13-14,18H,3,7-10,12H2,1-2H3;1H.
What are the key properties of N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119928208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).