N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine

C10H21FN2 — CID 58472197

IUPACN-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCN(C)CC1
InChIInChI=1S/C10H21FN2/c1-9(2)12-8-10(11)4-6-13(3)7-5-10/h9,12H,4-8H2,1-3H3
InChIKeyXNZWGGTUACMKCM-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.42
Rot. Bonds3

About N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine

N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 58472197) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID58472197
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC NameN-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCN(C)CC1
InChIInChI=1S/C10H21FN2/c1-9(2)12-8-10(11)4-6-13(3)7-5-10/h9,12H,4-8H2,1-3H3
InChIKeyXNZWGGTUACMKCM-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine (CID 58472197) is N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine is CC(C)NCC1(F)CCN(C)CC1.
What is the InChIKey of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is XNZWGGTUACMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-9(2)12-8-10(11)4-6-13(3)7-5-10/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine?
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 188.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 58472197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).