N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine

C14H30N4 — CID 116911029

IUPACN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(C(C2CN(C)CCN2)N(C)C)C1
InChIInChI=1S/C14H30N4/c1-16(2)14(12-6-5-8-17(3)10-12)13-11-18(4)9-7-15-13/h12-15H,5-11H2,1-4H3
InChIKeyUUPFBHCXOIJQPC-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.16
Rot. Bonds3

About N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine

N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine (PubChem CID 116911029) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine
PubChem CID116911029
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(C(C2CN(C)CCN2)N(C)C)C1
InChIInChI=1S/C14H30N4/c1-16(2)14(12-6-5-8-17(3)10-12)13-11-18(4)9-7-15-13/h12-15H,5-11H2,1-4H3
InChIKeyUUPFBHCXOIJQPC-UHFFFAOYSA-N
XLogP0.16
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(1-methylpiperidin-3-yl)-1-pyrrolidin-2-ylmethanamine
CID 116906350
N,N,2-trimethyl-1-(4-methylpiperazin-2-yl)propan-1-amine
CID 116910990
1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116911145
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
1-(dimethylamino)-2-methyl-1-(1-methylpiperidin-3-yl)propan-2-ol
CID 116911418
N,N-dimethyl-1-(1-methylpiperidin-3-yl)-2-piperidin-3-ylethanamine
CID 116906863
(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
CID 131122145
1-cyclohexyl-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956926
1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
CID 115238599
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine
CID 116911018
3-(4-methylpiperazin-2-yl)butan-2-one
CID 82412326
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine (CID 116911029) is N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine is CN1CCCC(C(C2CN(C)CCN2)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine?
The InChIKey is UUPFBHCXOIJQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-16(2)14(12-6-5-8-17(3)10-12)13-11-18(4)9-7-15-13/h12-15H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine?
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine has a molecular weight of 254.42 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 116911029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).