N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine

C16H24ClN3O — CID 62297538

IUPACN-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)cnc1OCCN1CCCCC1
InChIInChI=1S/C16H24ClN3O/c17-15-10-13(11-18-14-4-5-14)12-19-16(15)21-9-8-20-6-2-1-3-7-20/h10,12,14,18H,1-9,11H2
InChIKeyZWRTUJDHKGJQBA-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.85
Rot. Bonds7

About N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62297538) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62297538
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)cnc1OCCN1CCCCC1
InChIInChI=1S/C16H24ClN3O/c17-15-10-13(11-18-14-4-5-14)12-19-16(15)21-9-8-20-6-2-1-3-7-20/h10,12,14,18H,1-9,11H2
InChIKeyZWRTUJDHKGJQBA-UHFFFAOYSA-N
XLogP2.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297872
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297369
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
5-chloro-6-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 114046391
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62295657
N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279476
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66275528
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297378
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 62297538) is N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine is Clc1cc(CNC2CC2)cnc1OCCN1CCCCC1.
What is the InChIKey of N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZWRTUJDHKGJQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c17-15-10-13(11-18-14-4-5-14)12-19-16(15)21-9-8-20-6-2-1-3-7-20/h10,12,14,18H,1-9,11H2.
What are the key properties of N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 309.84 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62297538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).