(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine

C15H31N — CID 155468867

IUPAC(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
SMILESCC(C)CCN1[C@H](C)CC(C(C)C)C[C@H]1C
InChIInChI=1S/C15H31N/c1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6/h11-15H,7-10H2,1-6H3/t13-,14-/m1/s1
InChIKeyRVFLTFBGPZPVOH-ZIAGYGMSSA-N
MW225.42 g/mol
LogP4.18
Rot. Bonds4

About (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine

(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine (PubChem CID 155468867) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
PubChem CID155468867
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
SMILESCC(C)CCN1[C@H](C)CC(C(C)C)C[C@H]1C
InChIInChI=1S/C15H31N/c1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6/h11-15H,7-10H2,1-6H3/t13-,14-/m1/s1
InChIKeyRVFLTFBGPZPVOH-ZIAGYGMSSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
The IUPAC name of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine (CID 155468867) is (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine is CC(C)CCN1[C@H](C)CC(C(C)C)C[C@H]1C.
What is the InChIKey of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
The InChIKey is RVFLTFBGPZPVOH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H31N/c1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6/h11-15H,7-10H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine has a molecular weight of 225.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 155468867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).