3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine

C10H21FN2 — CID 66767472

IUPAC3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)C)C(F)C1
InChIInChI=1S/C10H21FN2/c1-8(2)13-6-5-10(12(3)4)9(11)7-13/h8-10H,5-7H2,1-4H3
InChIKeyCSAWAHQTXVHXQB-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds2

About 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine

3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 66767472) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
PubChem CID66767472
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)C)C(F)C1
InChIInChI=1S/C10H21FN2/c1-8(2)13-6-5-10(12(3)4)9(11)7-13/h8-10H,5-7H2,1-4H3
InChIKeyCSAWAHQTXVHXQB-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine (CID 66767472) is 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N(C)C)C(F)C1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is CSAWAHQTXVHXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-8(2)13-6-5-10(12(3)4)9(11)7-13/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 66767472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).