N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C14H21ClN4 — CID 114924960

IUPACN-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCN1CCN(c2cc(CNC3CC3)c(Cl)cn2)CC1
InChIInChI=1S/C14H21ClN4/c1-18-4-6-19(7-5-18)14-8-11(13(15)10-17-14)9-16-12-2-3-12/h8,10,12,16H,2-7,9H2,1H3
InChIKeyHHTHHLDLAILTAX-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.74
Rot. Bonds4

About N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114924960) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114924960
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCN1CCN(c2cc(CNC3CC3)c(Cl)cn2)CC1
InChIInChI=1S/C14H21ClN4/c1-18-4-6-19(7-5-18)14-8-11(13(15)10-17-14)9-16-12-2-3-12/h8,10,12,16H,2-7,9H2,1H3
InChIKeyHHTHHLDLAILTAX-UHFFFAOYSA-N
XLogP1.74
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
N-[[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589167
N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927421
1-[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926597
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279476
N-[[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926598
N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925192
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114926213
N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927436

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 114924960) is N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is CN1CCN(c2cc(CNC3CC3)c(Cl)cn2)CC1.
What is the InChIKey of N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HHTHHLDLAILTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-18-4-6-19(7-5-18)14-8-11(13(15)10-17-14)9-16-12-2-3-12/h8,10,12,16H,2-7,9H2,1H3.
What are the key properties of N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 280.80 g/mol, XLogP of 1.74, 4 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-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114924960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).