(3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine

C12H23N — CID 67965080

IUPAC(3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC[C@@H](C)[C@@H](C(C)C)C1
InChIInChI=1S/C12H23N/c1-9(2)12-8-13(10(3)4)7-6-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3/t11-,12-/m1/s1
InChIKeyPKKZLSSBWWUETK-VXGBXAGGSA-N
MW181.32 g/mol
LogP3.13
Rot. Bonds2

About (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine

(3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine (PubChem CID 67965080) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
PubChem CID67965080
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC[C@@H](C)[C@@H](C(C)C)C1
InChIInChI=1S/C12H23N/c1-9(2)12-8-13(10(3)4)7-6-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3/t11-,12-/m1/s1
InChIKeyPKKZLSSBWWUETK-VXGBXAGGSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine (CID 67965080) is (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CC[C@@H](C)[C@@H](C(C)C)C1.
What is the InChIKey of (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The InChIKey is PKKZLSSBWWUETK-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12-8-13(10(3)4)7-6-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine?
(3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 67965080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).