N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine

C16H27ClN4 — CID 63619764

IUPACN-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(N2CCN(CC)C(C)C2)ccc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-8-18-11-15-14(17)6-7-16(19-15)21-10-9-20(5-2)13(3)12-21/h6-7,13,18H,4-5,8-12H2,1-3H3
InChIKeyFBRXVWKCIULTDR-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.77
Rot. Bonds6

About N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine

N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 63619764) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID63619764
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(N2CCN(CC)C(C)C2)ccc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-8-18-11-15-14(17)6-7-16(19-15)21-10-9-20(5-2)13(3)12-21/h6-7,13,18H,4-5,8-12H2,1-3H3
InChIKeyFBRXVWKCIULTDR-UHFFFAOYSA-N
XLogP2.77
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine
CID 104960819
N-[[3-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 81144404
N-[[3-chloro-6-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 63619428
N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62285900
N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 79164517
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63620272
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
N-[[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63004009
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 63633766
N-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 80834830
6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80834201

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine (CID 63619764) is N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(N2CCN(CC)C(C)C2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is FBRXVWKCIULTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-4-8-18-11-15-14(17)6-7-16(19-15)21-10-9-20(5-2)13(3)12-21/h6-7,13,18H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 63619764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).