N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride

C16H26ClFN2O — CID 156595577

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCC1CCN(Cc2ccccc2F)CC1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-20-11-8-18-12-14-6-9-19(10-7-14)13-15-4-2-3-5-16(15)17;/h2-5,14,18H,6-13H2,1H3;1H
InChIKeyVOFWTDYTYNVXKG-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.70
Rot. Bonds7

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 156595577) has the molecular formula C16H26ClFN2O and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
PubChem CID156595577
Molecular FormulaC16H26ClFN2O
Molecular Weight316.85 g/mol
Exact Mass316.17
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCC1CCN(Cc2ccccc2F)CC1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-20-11-8-18-12-14-6-9-19(10-7-14)13-15-4-2-3-5-16(15)17;/h2-5,14,18H,6-13H2,1H3;1H
InChIKeyVOFWTDYTYNVXKG-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
N-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 115983027
N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 62591709
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
1-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111789289
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride (CID 156595577) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride is COCCNCC1CCN(Cc2ccccc2F)CC1.Cl.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is VOFWTDYTYNVXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O.ClH/c1-20-11-8-18-12-14-6-9-19(10-7-14)13-15-4-2-3-5-16(15)17;/h2-5,14,18H,6-13H2,1H3;1H.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 156595577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).