2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

C14H29ClN2 — CID 120857311

IUPAC2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCC1CC(C)C(C)N(CC2CCCNC2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-11-7-12(2)13(3)16(9-11)10-14-5-4-6-15-8-14;/h11-15H,4-10H2,1-3H3;1H
InChIKeyRNDFMRZNQFRRBI-UHFFFAOYSA-N
MW260.85 g/mol
LogP2.77
Rot. Bonds2

About 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (PubChem CID 120857311) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
PubChem CID120857311
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC Name2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCC1CC(C)C(C)N(CC2CCCNC2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-11-7-12(2)13(3)16(9-11)10-14-5-4-6-15-8-14;/h11-15H,4-10H2,1-3H3;1H
InChIKeyRNDFMRZNQFRRBI-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine
CID 114593869
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)morpholine
CID 120854687
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
1-[4-methyl-1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849928
2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
CID 114593870
3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120848754
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine
CID 119932171
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 155286796
2,3-dimethyl-1-(2-piperidin-3-ylethyl)piperidine
CID 62357037

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (CID 120857311) is 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is CC1CC(C)C(C)N(CC2CCCNC2)C1.Cl.
What is the InChIKey of 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is RNDFMRZNQFRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.ClH/c1-11-7-12(2)13(3)16(9-11)10-14-5-4-6-15-8-14;/h11-15H,4-10H2,1-3H3;1H.
What are the key properties of 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 260.85 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 120857311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).