N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride

C8H20Cl2N2 — CID 129319947

IUPACN,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride
SMILESCN(C)C[C@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10(2)7-8-4-3-5-9-6-8;;/h8-9H,3-7H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyKKIHUFVKZOTRSS-JZGIKJSDSA-N
MW215.17 g/mol
LogP1.39
Rot. Bonds2

About N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride

N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride (PubChem CID 129319947) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride
PubChem CID129319947
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC NameN,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride
SMILESCN(C)C[C@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10(2)7-8-4-3-5-9-6-8;;/h8-9H,3-7H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyKKIHUFVKZOTRSS-JZGIKJSDSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride (CID 129319947) is N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride is CN(C)C[C@H]1CCCNC1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride?
The InChIKey is KKIHUFVKZOTRSS-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-10(2)7-8-4-3-5-9-6-8;;/h8-9H,3-7H2,1-2H3;2*1H/t8-;;/m0../s1.
What are the key properties of N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride?
N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S)-piperidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 129319947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).