N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline

C19H32N4 — CID 112721147

IUPACN-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCC(C)N1CCN(c2ccc(NCC3CCNCC3)cc2)CC1
InChIInChI=1S/C19H32N4/c1-16(2)22-11-13-23(14-12-22)19-5-3-18(4-6-19)21-15-17-7-9-20-10-8-17/h3-6,16-17,20-21H,7-15H2,1-2H3
InChIKeyAMFOJBYCRLSESC-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.63
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline

N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline (PubChem CID 112721147) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
PubChem CID112721147
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC NameN-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCC(C)N1CCN(c2ccc(NCC3CCNCC3)cc2)CC1
InChIInChI=1S/C19H32N4/c1-16(2)22-11-13-23(14-12-22)19-5-3-18(4-6-19)21-15-17-7-9-20-10-8-17/h3-6,16-17,20-21H,7-15H2,1-2H3
InChIKeyAMFOJBYCRLSESC-UHFFFAOYSA-N
XLogP2.63
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The IUPAC name of N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline (CID 112721147) is N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The canonical SMILES for N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline is CC(C)N1CCN(c2ccc(NCC3CCNCC3)cc2)CC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The InChIKey is AMFOJBYCRLSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-16(2)22-11-13-23(14-12-22)19-5-3-18(4-6-19)21-15-17-7-9-20-10-8-17/h3-6,16-17,20-21H,7-15H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline has a molecular weight of 316.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline is sourced from PubChem (CID 112721147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).