N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride

C16H29ClN4 — CID 120839700

IUPACN-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1.Cl
InChIInChI=1S/C16H28N4.ClH/c1-13(2)19(4)16-6-5-14(11-18-16)12-20-9-7-15(17-3)8-10-20;/h5-6,11,13,15,17H,7-10,12H2,1-4H3;1H
InChIKeyNUCLCIXDCNWKJC-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.53
Rot. Bonds5

About N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride

N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride (PubChem CID 120839700) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
PubChem CID120839700
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC NameN-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1.Cl
InChIInChI=1S/C16H28N4.ClH/c1-13(2)19(4)16-6-5-14(11-18-16)12-20-9-7-15(17-3)8-10-20;/h5-6,11,13,15,17H,7-10,12H2,1-4H3;1H
InChIKeyNUCLCIXDCNWKJC-UHFFFAOYSA-N
XLogP2.53
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120846227
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120897054
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120906404
[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 61252794

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride (CID 120839700) is N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride is CNC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1.Cl.
What is the InChIKey of N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
The InChIKey is NUCLCIXDCNWKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.ClH/c1-13(2)19(4)16-6-5-14(11-18-16)12-20-9-7-15(17-3)8-10-20;/h5-6,11,13,15,17H,7-10,12H2,1-4H3;1H.
What are the key properties of N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120839700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).