(3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine

C16H32N2 — CID 167163055

IUPAC(3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine
SMILESCC(CN1CC[C@@H](C)[C@H](C)C1)[C@H]1CNCC[C@H]1C
InChIInChI=1S/C16H32N2/c1-12-6-8-18(10-14(12)3)11-15(4)16-9-17-7-5-13(16)2/h12-17H,5-11H2,1-4H3/t12-,13-,14-,15?,16+/m1/s1
InChIKeyGSSRZIRYMHRHKW-SFCJMPCZSA-N
MW252.45 g/mol
LogP2.85
Rot. Bonds3

About (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine

(3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine (PubChem CID 167163055) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine
PubChem CID167163055
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine
SMILESCC(CN1CC[C@@H](C)[C@H](C)C1)[C@H]1CNCC[C@H]1C
InChIInChI=1S/C16H32N2/c1-12-6-8-18(10-14(12)3)11-15(4)16-9-17-7-5-13(16)2/h12-17H,5-11H2,1-4H3/t12-,13-,14-,15?,16+/m1/s1
InChIKeyGSSRZIRYMHRHKW-SFCJMPCZSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine?
The IUPAC name of (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine (CID 167163055) is (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine.
What is the SMILES notation for (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine?
The canonical SMILES for (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine is CC(CN1CC[C@@H](C)[C@H](C)C1)[C@H]1CNCC[C@H]1C.
What is the InChIKey of (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine?
The InChIKey is GSSRZIRYMHRHKW-SFCJMPCZSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-6-8-18(10-14(12)3)11-15(4)16-9-17-7-5-13(16)2/h12-17H,5-11H2,1-4H3/t12-,13-,14-,15?,16+/m1/s1.
What are the key properties of (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine?
(3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine has a molecular weight of 252.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine is sourced from PubChem (CID 167163055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).