N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline

C16H25N3 — CID 112721998

IUPACN-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(NCC3CC3)cc2)CC1
InChIInChI=1S/C16H25N3/c1-2-18-9-11-19(12-10-18)16-7-5-15(6-8-16)17-13-14-3-4-14/h5-8,14,17H,2-4,9-13H2,1H3
InChIKeyDJALANHVIFMSII-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.65
Rot. Bonds5

About N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline

N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline (PubChem CID 112721998) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline
PubChem CID112721998
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(NCC3CC3)cc2)CC1
InChIInChI=1S/C16H25N3/c1-2-18-9-11-19(12-10-18)16-7-5-15(6-8-16)17-13-14-3-4-14/h5-8,14,17H,2-4,9-13H2,1H3
InChIKeyDJALANHVIFMSII-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)aniline
CID 112722051
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
4-(4-ethylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)aniline
CID 112722012
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835
N-benzyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721983
5-[4-(4-ethylpiperazin-1-yl)anilino]pentan-1-ol
CID 112721979
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine
CID 59229868
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
2-methyl-N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939620

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline (CID 112721998) is N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline is CCN1CCN(c2ccc(NCC3CC3)cc2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline?
The InChIKey is DJALANHVIFMSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-18-9-11-19(12-10-18)16-7-5-15(6-8-16)17-13-14-3-4-14/h5-8,14,17H,2-4,9-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline?
N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline has a molecular weight of 259.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline is sourced from PubChem (CID 112721998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).