N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine

C21H33FN2O — CID 25284076

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C21H33FN2O/c1-17(2)24(16-20-7-5-13-25-20)14-18-9-11-23(12-10-18)15-19-6-3-4-8-21(19)22/h3-4,6,8,17-18,20H,5,7,9-16H2,1-2H3/t20-/m1/s1
InChIKeyVCTVGINVQRVCKM-HXUWFJFHSA-N
MW348.51 g/mol
LogP3.93
Rot. Bonds7

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine (PubChem CID 25284076) has the molecular formula C21H33FN2O and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine
PubChem CID25284076
Molecular FormulaC21H33FN2O
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1
InChIInChI=1S/C21H33FN2O/c1-17(2)24(16-20-7-5-13-25-20)14-18-9-11-23(12-10-18)15-19-6-3-4-8-21(19)22/h3-4,6,8,17-18,20H,5,7,9-16H2,1-2H3/t20-/m1/s1
InChIKeyVCTVGINVQRVCKM-HXUWFJFHSA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 72880001
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
CID 45218421
2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 97273079
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)but-3-enamide
CID 45171410
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 97286454
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45208136
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 45176610
1-N'-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-N'-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 45236449
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45189592
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 28956359
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 26391063
2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45216465

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine (CID 25284076) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine is CC(C)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is VCTVGINVQRVCKM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33FN2O/c1-17(2)24(16-20-7-5-13-25-20)14-18-9-11-23(12-10-18)15-19-6-3-4-8-21(19)22/h3-4,6,8,17-18,20H,5,7,9-16H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 348.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 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]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 25284076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).