N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C15H21Cl2N3 — CID 79715016

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESClc1ccc(Cl)c(CN(CC2CCNCC2)C2CC2)n1
InChIInChI=1S/C15H21Cl2N3/c16-13-3-4-15(17)19-14(13)10-20(12-1-2-12)9-11-5-7-18-8-6-11/h3-4,11-12,18H,1-2,5-10H2
InChIKeySLWPXGWLCLLIDR-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.35
Rot. Bonds5

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79715016) has the molecular formula C15H21Cl2N3 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79715016
Molecular FormulaC15H21Cl2N3
Molecular Weight314.26 g/mol
Exact Mass313.11
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESClc1ccc(Cl)c(CN(CC2CCNCC2)C2CC2)n1
InChIInChI=1S/C15H21Cl2N3/c16-13-3-4-15(17)19-14(13)10-20(12-1-2-12)9-11-5-7-18-8-6-11/h3-4,11-12,18H,1-2,5-10H2
InChIKeySLWPXGWLCLLIDR-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714268
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705554
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62891457
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
CID 112641605
5-chloro-6-[[cyclopropyl(propyl)amino]methyl]pyridin-2-amine
CID 62891822
N-(piperidin-4-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 120852140
N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 79713790
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79715016) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is Clc1ccc(Cl)c(CN(CC2CCNCC2)C2CC2)n1.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is SLWPXGWLCLLIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3/c16-13-3-4-15(17)19-14(13)10-20(12-1-2-12)9-11-5-7-18-8-6-11/h3-4,11-12,18H,1-2,5-10H2.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 314.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79715016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).