3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline

C15H23N3 — CID 61440176

IUPAC3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
SMILESNc1cccc(CN2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C15H23N3/c16-15-3-1-2-14(10-15)12-18-8-6-17(7-9-18)11-13-4-5-13/h1-3,10,13H,4-9,11-12,16H2
InChIKeyCFMXBUKRBQMQKT-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.80
Rot. Bonds4

About 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline (PubChem CID 61440176) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
PubChem CID61440176
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
SMILESNc1cccc(CN2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C15H23N3/c16-15-3-1-2-14(10-15)12-18-8-6-17(7-9-18)11-13-4-5-13/h1-3,10,13H,4-9,11-12,16H2
InChIKeyCFMXBUKRBQMQKT-UHFFFAOYSA-N
XLogP1.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-ylmethyl)aniline
CID 6484183
2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 62499348
2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide
CID 54990221
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
2-[4-[(3-aminophenyl)methyl]piperazin-1-yl]ethynol
CID 140605270
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
CID 61440178
4-[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]aniline
CID 177362384
3-[2-(4-benzylpiperazin-1-yl)ethyl]aniline
CID 28720911
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
ethyl 2-[4-[(3-aminophenyl)methyl]piperazin-1-yl]acetate
CID 22330214

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline?
The IUPAC name of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline (CID 61440176) is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline.
What is the SMILES notation for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline?
The canonical SMILES for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline is Nc1cccc(CN2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline?
The InChIKey is CFMXBUKRBQMQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-15-3-1-2-14(10-15)12-18-8-6-17(7-9-18)11-13-4-5-13/h1-3,10,13H,4-9,11-12,16H2.
What are the key properties of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline?
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline has a molecular weight of 245.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline is sourced from PubChem (CID 61440176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).