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

C14H29ClN2 — CID 120848754

IUPAC3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCC1CN(CC2CCCNC2)CC(C)(C)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-12-7-14(2,3)11-16(9-12)10-13-5-4-6-15-8-13;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyFSAICHUAYKVZTA-UHFFFAOYSA-N
MW260.85 g/mol
LogP2.78
Rot. Bonds2

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

3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (PubChem CID 120848754) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
PubChem CID120848754
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC Name3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCC1CN(CC2CCCNC2)CC(C)(C)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-12-7-14(2,3)11-16(9-12)10-13-5-4-6-15-8-13;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyFSAICHUAYKVZTA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
6-methyl-4-(piperidin-3-ylmethyl)-1,4-thiazepane;hydrochloride
CID 120853474
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
[6,6-dimethyl-4-(piperidin-3-ylmethyl)morpholin-2-yl]methanol
CID 114782619
2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120857311
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (CID 120848754) is 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is CC1CN(CC2CCCNC2)CC(C)(C)C1.Cl.
What is the InChIKey of 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is FSAICHUAYKVZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.ClH/c1-12-7-14(2,3)11-16(9-12)10-13-5-4-6-15-8-13;/h12-13,15H,4-11H2,1-3H3;1H.
What are the key properties of 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 260.85 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 120848754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).