1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine

C19H30FN3 — CID 10381295

IUPAC1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(N2CCC(CN3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H30FN3/c1-21(2)14-17-5-6-19(18(20)13-17)23-11-7-16(8-12-23)15-22-9-3-4-10-22/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3
InChIKeyKLXKXHICVHEMEB-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.20
Rot. Bonds5

About 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine

1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 10381295) has the molecular formula C19H30FN3 and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID10381295
Molecular FormulaC19H30FN3
Molecular Weight319.47 g/mol
Exact Mass319.24
IUPAC Name1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(N2CCC(CN3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H30FN3/c1-21(2)14-17-5-6-19(18(20)13-17)23-11-7-16(8-12-23)15-22-9-3-4-10-22/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3
InChIKeyKLXKXHICVHEMEB-UHFFFAOYSA-N
XLogP3.20
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine (CID 10381295) is 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(N2CCC(CN3CCCC3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is KLXKXHICVHEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3/c1-21(2)14-17-5-6-19(18(20)13-17)23-11-7-16(8-12-23)15-22-9-3-4-10-22/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine?
1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 319.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10381295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).