4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride

C15H31ClN2 — CID 120899502

IUPAC4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
SMILESCC1(CN2CCC(C(C)(C)C)CC2)CCNC1.Cl
InChIInChI=1S/C15H30N2.ClH/c1-14(2,3)13-5-9-17(10-6-13)12-15(4)7-8-16-11-15;/h13,16H,5-12H2,1-4H3;1H
InChIKeySKFMOFBAVJGDQD-UHFFFAOYSA-N
MW274.88 g/mol
LogP3.17
Rot. Bonds2

About 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride

4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride (PubChem CID 120899502) has the molecular formula C15H31ClN2 and a molecular weight of 274.88 g/mol. Its IUPAC name is 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
PubChem CID120899502
Molecular FormulaC15H31ClN2
Molecular Weight274.88 g/mol
Exact Mass274.22
IUPAC Name4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
SMILESCC1(CN2CCC(C(C)(C)C)CC2)CCNC1.Cl
InChIInChI=1S/C15H30N2.ClH/c1-14(2,3)13-5-9-17(10-6-13)12-15(4)7-8-16-11-15;/h13,16H,5-12H2,1-4H3;1H
InChIKeySKFMOFBAVJGDQD-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.88
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride (CID 120899502) is 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride is CC1(CN2CCC(C(C)(C)C)CC2)CCNC1.Cl.
What is the InChIKey of 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
The InChIKey is SKFMOFBAVJGDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.ClH/c1-14(2,3)13-5-9-17(10-6-13)12-15(4)7-8-16-11-15;/h13,16H,5-12H2,1-4H3;1H.
What are the key properties of 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride?
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride has a molecular weight of 274.88 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 120899502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).