dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium

C16H29N4+ — CID 67692662

IUPACdimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium
SMILESCCC[N+](C)(C)c1cccnc1N(C)C1CCNCC1
InChIInChI=1S/C16H29N4/c1-5-13-20(3,4)15-7-6-10-18-16(15)19(2)14-8-11-17-12-9-14/h6-7,10,14,17H,5,8-9,11-13H2,1-4H3/q+1
InChIKeyBLCGJKFSKHNXNQ-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.25
Rot. Bonds5

About dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium

dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium (PubChem CID 67692662) has the molecular formula C16H29N4+ and a molecular weight of 277.44 g/mol. Its IUPAC name is dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium.

Molecular Properties

Compound Namedimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium
PubChem CID67692662
Molecular FormulaC16H29N4+
Molecular Weight277.44 g/mol
Exact Mass277.24
IUPAC Namedimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium
SMILESCCC[N+](C)(C)c1cccnc1N(C)C1CCNCC1
InChIInChI=1S/C16H29N4/c1-5-13-20(3,4)15-7-6-10-18-16(15)19(2)14-8-11-17-12-9-14/h6-7,10,14,17H,5,8-9,11-13H2,1-4H3/q+1
InChIKeyBLCGJKFSKHNXNQ-UHFFFAOYSA-N
XLogP2.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
CID 107174187
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926
N-methyl-3-methylsulfonyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 114599260
2-N-cyclopropyl-2-N-methylpyridine-2,3-diamine
CID 43264702
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-methyl-N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71641501
[2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl] 2-methylpropanoate
CID 174664451
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719150

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium?
The IUPAC name of dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium (CID 67692662) is dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium.
What is the SMILES notation for dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium?
The canonical SMILES for dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium is CCC[N+](C)(C)c1cccnc1N(C)C1CCNCC1.
What is the InChIKey of dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium?
The InChIKey is BLCGJKFSKHNXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N4/c1-5-13-20(3,4)15-7-6-10-18-16(15)19(2)14-8-11-17-12-9-14/h6-7,10,14,17H,5,8-9,11-13H2,1-4H3/q+1.
What are the key properties of dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium?
dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium has a molecular weight of 277.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[methyl(piperidin-4-yl)amino]-3-pyridinyl]-propylazanium is sourced from PubChem (CID 67692662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).