N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C18H29N3 — CID 62423801

IUPACN-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCCCN1CCN(Cc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-2-9-20-10-12-21(13-11-20)15-17-5-3-16(4-6-17)14-19-18-7-8-18/h3-6,18-19H,2,7-15H2,1H3
InChIKeyAGERWVXMYWNATM-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.47
Rot. Bonds7

About N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62423801) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62423801
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCCCN1CCN(Cc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-2-9-20-10-12-21(13-11-20)15-17-5-3-16(4-6-17)14-19-18-7-8-18/h3-6,18-19H,2,7-15H2,1H3
InChIKeyAGERWVXMYWNATM-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
N-[[6-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106905627
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 43281201
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-(1-benzofuran-5-ylmethyl)-1-propylpiperidin-4-amine;ethane
CID 143221470

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 62423801) is N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is CCCN1CCN(Cc2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is AGERWVXMYWNATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-9-20-10-12-21(13-11-20)15-17-5-3-16(4-6-17)14-19-18-7-8-18/h3-6,18-19H,2,7-15H2,1H3.
What are the key properties of N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62423801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).