N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine

C21H35N3O — CID 77081544

IUPACN,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccccc1CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C21H35N3O/c1-22(2)12-8-16-25-21-10-5-4-9-19(21)17-23-15-11-20(18-23)24-13-6-3-7-14-24/h4-5,9-10,20H,3,6-8,11-18H2,1-2H3
InChIKeyBWGMLCRWIOHODD-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.08
Rot. Bonds8

About N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine

N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine (PubChem CID 77081544) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
PubChem CID77081544
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC NameN,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
SMILESCN(C)CCCOc1ccccc1CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C21H35N3O/c1-22(2)12-8-16-25-21-10-5-4-9-19(21)17-23-15-11-20(18-23)24-13-6-3-7-14-24/h4-5,9-10,20H,3,6-8,11-18H2,1-2H3
InChIKeyBWGMLCRWIOHODD-UHFFFAOYSA-N
XLogP3.08
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77094318
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786
2-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620
2-[2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenoxy]acetic acid
CID 56718402
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 55157982
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 55136618
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63165530

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine (CID 77081544) is N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine is CN(C)CCCOc1ccccc1CN1CCC(N2CCCCC2)C1.
What is the InChIKey of N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
The InChIKey is BWGMLCRWIOHODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-22(2)12-8-16-25-21-10-5-4-9-19(21)17-23-15-11-20(18-23)24-13-6-3-7-14-24/h4-5,9-10,20H,3,6-8,11-18H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine has a molecular weight of 345.53 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine is sourced from PubChem (CID 77081544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).