(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride

C9H20ClN — CID 170903987

IUPAC(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)CN1.Cl
InChIInChI=1S/C9H19N.ClH/c1-7(2)9-5-4-8(3)6-10-9;/h7-10H,4-6H2,1-3H3;1H/t8-,9+;/m1./s1
InChIKeyDZDGZOQHMLXYJP-RJUBDTSPSA-N
MW177.72 g/mol
LogP2.45
Rot. Bonds1

About (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride

(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride (PubChem CID 170903987) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride
PubChem CID170903987
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)CN1.Cl
InChIInChI=1S/C9H19N.ClH/c1-7(2)9-5-4-8(3)6-10-9;/h7-10H,4-6H2,1-3H3;1H/t8-,9+;/m1./s1
InChIKeyDZDGZOQHMLXYJP-RJUBDTSPSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride?
The IUPAC name of (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride (CID 170903987) is (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride.
What is the SMILES notation for (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride?
The canonical SMILES for (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride is CC(C)[C@@H]1CC[C@@H](C)CN1.Cl.
What is the InChIKey of (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride?
The InChIKey is DZDGZOQHMLXYJP-RJUBDTSPSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-7(2)9-5-4-8(3)6-10-9;/h7-10H,4-6H2,1-3H3;1H/t8-,9+;/m1./s1.
What are the key properties of (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride?
(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 170903987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).