N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C16H28N4 — CID 81247566

IUPACN-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCN1CCN(c2ccncc2CNC(C)C)CC1C
InChIInChI=1S/C16H28N4/c1-5-19-8-9-20(12-14(19)4)16-6-7-17-10-15(16)11-18-13(2)3/h6-7,10,13-14,18H,5,8-9,11-12H2,1-4H3
InChIKeySNJQEQFPZKFGPN-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds5

About N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81247566) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81247566
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCN1CCN(c2ccncc2CNC(C)C)CC1C
InChIInChI=1S/C16H28N4/c1-5-19-8-9-20(12-14(19)4)16-6-7-17-10-15(16)11-18-13(2)3/h6-7,10,13-14,18H,5,8-9,11-12H2,1-4H3
InChIKeySNJQEQFPZKFGPN-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248359
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723
N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
CID 81253767
N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247761
N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073899
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247460
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63620102
N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246226
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81247579
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63620144
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81247301
N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248946

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81247566) is N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CCN1CCN(c2ccncc2CNC(C)C)CC1C.
What is the InChIKey of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is SNJQEQFPZKFGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-19-8-9-20(12-14(19)4)16-6-7-17-10-15(16)11-18-13(2)3/h6-7,10,13-14,18H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81247566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).