N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride

C16H29Cl2N5 — CID 154901165

IUPACN,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride
SMILESCN(C)c1ccc(CN2CCN(C3CCNC3)CC2)cn1.Cl.Cl
InChIInChI=1S/C16H27N5.2ClH/c1-19(2)16-4-3-14(11-18-16)13-20-7-9-21(10-8-20)15-5-6-17-12-15;;/h3-4,11,15,17H,5-10,12-13H2,1-2H3;2*1H
InChIKeyYFZUKKQQRSZPKP-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.47
Rot. Bonds4

About N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride

N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride (PubChem CID 154901165) has the molecular formula C16H29Cl2N5 and a molecular weight of 362.35 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride
PubChem CID154901165
Molecular FormulaC16H29Cl2N5
Molecular Weight362.35 g/mol
Exact Mass361.18
IUPAC NameN,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride
SMILESCN(C)c1ccc(CN2CCN(C3CCNC3)CC2)cn1.Cl.Cl
InChIInChI=1S/C16H27N5.2ClH/c1-19(2)16-4-3-14(11-18-16)13-20-7-9-21(10-8-20)15-5-6-17-12-15;;/h3-4,11,15,17H,5-10,12-13H2,1-2H3;2*1H
InChIKeyYFZUKKQQRSZPKP-UHFFFAOYSA-N
XLogP1.47
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
CID 125118230
5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine
CID 154571202
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
2-(2-methylphenyl)-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;dihydrochloride
CID 154901253
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane
CID 103438191
N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
CID 77089956
N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77087221

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride (CID 154901165) is N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride is CN(C)c1ccc(CN2CCN(C3CCNC3)CC2)cn1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride?
The InChIKey is YFZUKKQQRSZPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5.2ClH/c1-19(2)16-4-3-14(11-18-16)13-20-7-9-21(10-8-20)15-5-6-17-12-15;;/h3-4,11,15,17H,5-10,12-13H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride?
N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 154901165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).