N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C16H27ClN4 — CID 114925192

IUPACN-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCCCN1CCN(c2cc(CNC(C)C)c(Cl)cn2)CC1
InChIInChI=1S/C16H27ClN4/c1-4-5-20-6-8-21(9-7-20)16-10-14(11-18-13(2)3)15(17)12-19-16/h10,12-13,18H,4-9,11H2,1-3H3
InChIKeyHVZYIYSULOSRLO-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.77
Rot. Bonds6

About N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114925192) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID114925192
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCCCN1CCN(c2cc(CNC(C)C)c(Cl)cn2)CC1
InChIInChI=1S/C16H27ClN4/c1-4-5-20-6-8-21(9-7-20)16-10-14(11-18-13(2)3)15(17)12-19-16/h10,12-13,18H,4-9,11H2,1-3H3
InChIKeyHVZYIYSULOSRLO-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

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Related Compounds

N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114924865
N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 103539431
N-[[5-chloro-2-(2,2-dimethylthiomorpholin-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114927217
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 114926628
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925391
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928249
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967701
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 114925192) is N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CCCN1CCN(c2cc(CNC(C)C)c(Cl)cn2)CC1.
What is the InChIKey of N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is HVZYIYSULOSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-4-5-20-6-8-21(9-7-20)16-10-14(11-18-13(2)3)15(17)12-19-16/h10,12-13,18H,4-9,11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-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-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114925192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).