N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine

C18H32N4O — CID 70755029

IUPACN-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1ccnc(C(C)C)n1)C1CCN(C)CC1
InChIInChI=1S/C18H32N4O/c1-15(2)18-19-9-6-16(20-18)14-22(10-5-13-23-4)17-7-11-21(3)12-8-17/h6,9,15,17H,5,7-8,10-14H2,1-4H3
InChIKeyDDAWVYBVRFNMAQ-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.53
Rot. Bonds8

About N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine

N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine (PubChem CID 70755029) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine
PubChem CID70755029
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1ccnc(C(C)C)n1)C1CCN(C)CC1
InChIInChI=1S/C18H32N4O/c1-15(2)18-19-9-6-16(20-18)14-22(10-5-13-23-4)17-7-11-21(3)12-8-17/h6,9,15,17H,5,7-8,10-14H2,1-4H3
InChIKeyDDAWVYBVRFNMAQ-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine (CID 70755029) is N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine is COCCCN(Cc1ccnc(C(C)C)n1)C1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
The InChIKey is DDAWVYBVRFNMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15(2)18-19-9-6-16(20-18)14-22(10-5-13-23-4)17-7-11-21(3)12-8-17/h6,9,15,17H,5,7-8,10-14H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine has a molecular weight of 320.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 70755029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).