[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride

C12H26ClN3 — CID 171394437

IUPAC[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
SMILESCN1CCC(N2CCC(CN)CC2)CC1.Cl
InChIInChI=1S/C12H25N3.ClH/c1-14-6-4-12(5-7-14)15-8-2-11(10-13)3-9-15;/h11-12H,2-10,13H2,1H3;1H
InChIKeyRSHCIKKKKCVPRN-UHFFFAOYSA-N
MW247.81 g/mol
LogP1.17
Rot. Bonds2

About [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride

[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 171394437) has the molecular formula C12H26ClN3 and a molecular weight of 247.81 g/mol. Its IUPAC name is [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID171394437
Molecular FormulaC12H26ClN3
Molecular Weight247.81 g/mol
Exact Mass247.18
IUPAC Name[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
SMILESCN1CCC(N2CCC(CN)CC2)CC1.Cl
InChIInChI=1S/C12H25N3.ClH/c1-14-6-4-12(5-7-14)15-8-2-11(10-13)3-9-15;/h11-12H,2-10,13H2,1H3;1H
InChIKeyRSHCIKKKKCVPRN-UHFFFAOYSA-N
XLogP1.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride (CID 171394437) is [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride is CN1CCC(N2CCC(CN)CC2)CC1.Cl.
What is the InChIKey of [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is RSHCIKKKKCVPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.ClH/c1-14-6-4-12(5-7-14)15-8-2-11(10-13)3-9-15;/h11-12H,2-10,13H2,1H3;1H.
What are the key properties of [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride?
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 247.81 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 171394437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).