N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C18H27N3 — CID 62412416

IUPACN-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C18H27N3/c1-2-15(13-19-17-4-5-17)12-16(3-1)14-20-8-10-21(11-9-20)18-6-7-18/h1-3,12,17-19H,4-11,13-14H2
InChIKeyPJMQNZUQJSRXKO-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.22
Rot. Bonds6

About N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62412416) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62412416
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C18H27N3/c1-2-15(13-19-17-4-5-17)12-16(3-1)14-20-8-10-21(11-9-20)18-6-7-18/h1-3,12,17-19H,4-11,13-14H2
InChIKeyPJMQNZUQJSRXKO-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
CID 61440746
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
CID 75408371
1-benzyl-4-cyclopropylpiperazine
CID 69195043
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62432060
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62446621
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62412420

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 62412416) is N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is c1cc(CNC2CC2)cc(CN2CCN(C3CC3)CC2)c1.
What is the InChIKey of N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is PJMQNZUQJSRXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-15(13-19-17-4-5-17)12-16(3-1)14-20-8-10-21(11-9-20)18-6-7-18/h1-3,12,17-19H,4-11,13-14H2.
What are the key properties of N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62412416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).