1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride

C13H24Cl2N4 — CID 69277737

IUPAC1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride
SMILESCN(C)C1CCN(c2ccc(CN)cn2)CC1.Cl.Cl
InChIInChI=1S/C13H22N4.2ClH/c1-16(2)12-5-7-17(8-6-12)13-4-3-11(9-14)10-15-13;;/h3-4,10,12H,5-9,14H2,1-2H3;2*1H
InChIKeyPHQQQLJAMAVLNE-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.91
Rot. Bonds3

About 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride

1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride (PubChem CID 69277737) has the molecular formula C13H24Cl2N4 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride
PubChem CID69277737
Molecular FormulaC13H24Cl2N4
Molecular Weight307.27 g/mol
Exact Mass306.14
IUPAC Name1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride
SMILESCN(C)C1CCN(c2ccc(CN)cn2)CC1.Cl.Cl
InChIInChI=1S/C13H22N4.2ClH/c1-16(2)12-5-7-17(8-6-12)13-4-3-11(9-14)10-15-13;;/h3-4,10,12H,5-9,14H2,1-2H3;2*1H
InChIKeyPHQQQLJAMAVLNE-UHFFFAOYSA-N
XLogP1.91
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
1-[5-(2-aminopropyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 80634559
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 107355689
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride (CID 69277737) is 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride is CN(C)C1CCN(c2ccc(CN)cn2)CC1.Cl.Cl.
What is the InChIKey of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride?
The InChIKey is PHQQQLJAMAVLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.2ClH/c1-16(2)12-5-7-17(8-6-12)13-4-3-11(9-14)10-15-13;;/h3-4,10,12H,5-9,14H2,1-2H3;2*1H.
What are the key properties of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride?
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride has a molecular weight of 307.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 69277737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).