N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride

C20H33ClN2O2 — CID 86796273

IUPACN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride
SMILESCCCN(Cc1ccc(OCC2CCCO2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-2-13-22(18-9-11-21-12-10-18)15-17-5-7-19(8-6-17)24-16-20-4-3-14-23-20;/h5-8,18,20-21H,2-4,9-16H2,1H3;1H
InChIKeyJCXAYOHRWKAZCG-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.63
Rot. Bonds8

About N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride (PubChem CID 86796273) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride
PubChem CID86796273
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride
SMILESCCCN(Cc1ccc(OCC2CCCO2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-2-13-22(18-9-11-21-12-10-18)15-17-5-7-19(8-6-17)24-16-20-4-3-14-23-20;/h5-8,18,20-21H,2-4,9-16H2,1H3;1H
InChIKeyJCXAYOHRWKAZCG-UHFFFAOYSA-N
XLogP3.63
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389
4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride (CID 86796273) is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride is CCCN(Cc1ccc(OCC2CCCO2)cc1)C1CCNCC1.Cl.
What is the InChIKey of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride?
The InChIKey is JCXAYOHRWKAZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-2-13-22(18-9-11-21-12-10-18)15-17-5-7-19(8-6-17)24-16-20-4-3-14-23-20;/h5-8,18,20-21H,2-4,9-16H2,1H3;1H.
What are the key properties of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride?
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-N-propylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 86796273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).