N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine

C26H42FN3O — CID 45218421

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)CC1
InChIInChI=1S/C26H42FN3O/c1-2-13-28-16-11-24(12-17-28)30(21-25-7-5-18-31-25)19-22-9-14-29(15-10-22)20-23-6-3-4-8-26(23)27/h3-4,6,8,22,24-25H,2,5,7,9-21H2,1H3
InChIKeyRZHBAEFXTJLHNS-UHFFFAOYSA-N
MW431.64 g/mol
LogP4.39
Rot. Bonds9

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine (PubChem CID 45218421) has the molecular formula C26H42FN3O and a molecular weight of 431.64 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
PubChem CID45218421
Molecular FormulaC26H42FN3O
Molecular Weight431.64 g/mol
Exact Mass431.33
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)CC1
InChIInChI=1S/C26H42FN3O/c1-2-13-28-16-11-24(12-17-28)30(21-25-7-5-18-31-25)19-22-9-14-29(15-10-22)20-23-6-3-4-8-26(23)27/h3-4,6,8,22,24-25H,2,5,7,9-21H2,1H3
InChIKeyRZHBAEFXTJLHNS-UHFFFAOYSA-N
XLogP4.39
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.64
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine
CID 25284076
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 72880001
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]-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45208136
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]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45189592
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 45176610
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-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 97280461
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 25454692
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 25454686

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine (CID 45218421) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine is CCCN1CCC(N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine?
The InChIKey is RZHBAEFXTJLHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42FN3O/c1-2-13-28-16-11-24(12-17-28)30(21-25-7-5-18-31-25)19-22-9-14-29(15-10-22)20-23-6-3-4-8-26(23)27/h3-4,6,8,22,24-25H,2,5,7,9-21H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine has a molecular weight of 431.64 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 45218421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).