(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine

C10H21FN2 — CID 59670831

IUPAC(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CC[C@@H](N(C)C)[C@@H](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/t9-,10+/m0/s1
InChIKeyCSAWAHQTXVHXQB-VHSXEESVSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds2

About (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine

(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 59670831) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
PubChem CID59670831
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CC[C@@H](N(C)C)[C@@H](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/t9-,10+/m0/s1
InChIKeyCSAWAHQTXVHXQB-VHSXEESVSA-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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Launch Full Analysis

Related Compounds

N-cyclohexyl-1-ethyl-N-methyl-4-piperidinamine
CID 783843
N-Isopropylpiperidine
CID 240410
1-Ethyl-2-methylpiperidine
CID 522625
1-(2-Fluoropropyl)piperidine
CID 101432305
Cambridge id 5461076
CID 742600
1-Isopropyl-1',4'-bipiperidine
CID 766862
Cambridge id 5452134
CID 783765
1'-Ethyl-1,4'-bipiperidine
CID 784001
1'-Methyl-1,4'-bipiperidine
CID 870793
Piperidine, 1-butyl-2-methyl
CID 6428880
Piperidine, 1-hexyl-2-methyl
CID 6428888
Piperidine, 2-methyl-1-pentyl
CID 6428893

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine (CID 59670831) is (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine is CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.
What is the InChIKey of (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is CSAWAHQTXVHXQB-VHSXEESVSA-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/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine?
(3S,4R)-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 (3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 59670831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).