N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride

C20H27Cl2FN2O — CID 17155048

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.Fc1ccc(COc2ccccc2CNCC2CCNCC2)cc1
InChIInChI=1S/C20H25FN2O.2ClH/c21-19-7-5-17(6-8-19)15-24-20-4-2-1-3-18(20)14-23-13-16-9-11-22-12-10-16;;/h1-8,16,22-23H,9-15H2;2*1H
InChIKeyNDZHBBSQVOQLEL-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.34
Rot. Bonds7

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride (PubChem CID 17155048) has the molecular formula C20H27Cl2FN2O and a molecular weight of 401.35 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
PubChem CID17155048
Molecular FormulaC20H27Cl2FN2O
Molecular Weight401.35 g/mol
Exact Mass400.15
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.Fc1ccc(COc2ccccc2CNCC2CCNCC2)cc1
InChIInChI=1S/C20H25FN2O.2ClH/c21-19-7-5-17(6-8-19)15-24-20-4-2-1-3-18(20)14-23-13-16-9-11-22-12-10-16;;/h1-8,16,22-23H,9-15H2;2*1H
InChIKeyNDZHBBSQVOQLEL-UHFFFAOYSA-N
XLogP4.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-cyclopropylmethanamine
CID 57269923
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155046
4-[2-(2-phenylmethoxyphenyl)ethyl]piperidine
CID 142656770
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155047
N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620426
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
4-[[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17294879
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine
CID 160587805
2-phenylmethoxy-6-(piperidin-4-ylmethyl)phenol
CID 117479063

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride (CID 17155048) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride is Cl.Cl.Fc1ccc(COc2ccccc2CNCC2CCNCC2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
The InChIKey is NDZHBBSQVOQLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O.2ClH/c21-19-7-5-17(6-8-19)15-24-20-4-2-1-3-18(20)14-23-13-16-9-11-22-12-10-16;;/h1-8,16,22-23H,9-15H2;2*1H.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride has a molecular weight of 401.35 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 17155048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).