3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride

C14H29ClN2 — CID 176957482

IUPAC3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
SMILESCC(C)(C)C1CCCN(C2CCNCC2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-14(2,3)12-5-4-10-16(11-12)13-6-8-15-9-7-13;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyYXVUCUINHQYALV-UHFFFAOYSA-N
MW260.85 g/mol
LogP2.92
Rot. Bonds1

About 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride

3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride (PubChem CID 176957482) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
PubChem CID176957482
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC Name3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
SMILESCC(C)(C)C1CCCN(C2CCNCC2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-14(2,3)12-5-4-10-16(11-12)13-6-8-15-9-7-13;/h12-13,15H,4-11H2,1-3H3;1H
InChIKeyYXVUCUINHQYALV-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957509
[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
CID 65095184
(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol
CID 129494886
(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile
CID 118533847
3-(cyclopropylmethyl)-1-piperidin-4-ylpiperidine
CID 156735020
3-cyclobutyloxy-1-piperidin-4-ylpiperidine
CID 176957476
1-piperidin-4-ylpiperidine chloride
CID 3083875
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009
3-(cyclopropylmethoxymethyl)-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735211
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride?
The IUPAC name of 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride (CID 176957482) is 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride.
What is the SMILES notation for 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride?
The canonical SMILES for 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride is CC(C)(C)C1CCCN(C2CCNCC2)C1.Cl.
What is the InChIKey of 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride?
The InChIKey is YXVUCUINHQYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.ClH/c1-14(2,3)12-5-4-10-16(11-12)13-6-8-15-9-7-13;/h12-13,15H,4-11H2,1-3H3;1H.
What are the key properties of 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride?
3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride has a molecular weight of 260.85 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride is sourced from PubChem (CID 176957482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).